UT0

1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone

Created:	2016-12-09
Last modified:	2021-03-01

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1 entries where UT0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	0
Bond Count	48
Aromatic Bond Count	16

2D diagram of UT0

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Chemical Component Summary
Name	1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone
Synonyms	UT07C
Systematic Name (OpenEye OEToolkits)	1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone
Formula	C₁₉ H₂₀ N₂ O₄ S
Molecular Weight	372.438
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCOc1ccc(cc1Nc2ccc3ccn(c3c2)[S](C)(=O)=O)C(C)=O
SMILES	OpenEye OEToolkits	2.0.6	CCOc1ccc(cc1Nc2ccc3ccn(c3c2)S(=O)(=O)C)C(=O)C
Canonical SMILES	CACTVS	3.385	CCOc1ccc(cc1Nc2ccc3ccn(c3c2)[S](C)(=O)=O)C(C)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCOc1ccc(cc1Nc2ccc3ccn(c3c2)S(=O)(=O)C)C(=O)C
InChI	InChI	1.03	InChI=1S/C19H20N2O4S/c1-4-25-19-8-6-15(13(2)22)11-17(19)20-16-7-5-14-9-10-21(18(14)12-16)26(3,23)24/h5-12,20H,4H2,1-3H3
InChIKey	InChI	1.03	OCKRWFCZZXKGGR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	131953425

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.