[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoate

Systemtic Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoate Openeye Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl] 4-methyl-3-(m-tolylsulfamoyl)benzoate CAS Name: 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoic acid [2-[1-(2-cyanoethyl)-3-indolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl] 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoate Traditional Name: 4-methyl-3-(m-tolylsulfamoyl)benzoic acid [2-[1-(2-cyanoethyl)indol-3-yl]-2-keto-ethyl] ester Formula: C28H25N3O5S MolecularWeight: 515.5802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CN(C4=CC=CC=C43)CCC#N)C

Isomeric SMILES

CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CN(C4=CC=CC=C43)CCC#N)C

InChI

InChI=1S/C28H25N3O5S/c1-19-7-5-8-22(15-19)30-37(34,35)27-16-21(12-11-20(27)2)28(33)36-18-26(32)24-17-31(14-6-13-29)25-10-4-3-9-23(24)25/h3-5,7-12,15-17,30H,6,14,18H2,1-2H3