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

Systemtic Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate Openeye Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl] 4-methoxy-3-(p-tolylsulfamoyl)benzoate CAS Name: 4-methoxy-3-[(4-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-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate Traditional Name: 4-methoxy-3-(p-tolylsulfamoyl)benzoic acid [2-[1-(2-cyanoethyl)indol-3-yl]-2-keto-ethyl] ester Formula: C28H25N3O6S MolecularWeight: 531.5796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25N3O6S/c1-19-8-11-21(12-9-19)30-38(34,35)27-16-20(10-13-26(27)36-2)28(33)37-18-25(32)23-17-31(15-5-14-29)24-7-4-3-6-22(23)24/h3-4,6-13,16-17,30H,5,15,18H2,1-2H3