M29

ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE

Created:	2006-10-30
Last modified:	2021-03-01

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2 entries where M29 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	6

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Chemical Component Summary
Name	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE
Synonyms	4-PROPYL BENZENESULFONAMIDE ETHYL ESTER
Systematic Name (OpenEye OEToolkits)	ethyl 3-(4-sulfamoylphenyl)propanoate
Formula	C₁₁ H₁₅ N O₄ S
Molecular Weight	257.306
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(c1ccc(cc1)CCC(=O)OCC)N
SMILES	CACTVS	3.341	CCOC(=O)CCc1ccc(cc1)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCOC(=O)CCc1ccc(cc1)S(=O)(=O)N
Canonical SMILES	CACTVS	3.341	CCOC(=O)CCc1ccc(cc1)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCOC(=O)CCc1ccc(cc1)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C11H15NO4S/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)17(12,14)15/h3-4,6-7H,2,5,8H2,1H3,(H2,12,14,15)
InChIKey	InChI	1.03	OJBJALUJMRMNIR-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08157
Name	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE
Groups	experimental
Synonyms	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Carbonic anhydrase 1	MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISV...	unknown
Carbonic anhydrase 2	MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVS...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682