[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(1-ethylsulfonylindolin-5-yl)-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(1-esylindolin-5-yl)-2-keto-ethyl] ester Formula: C22H21N3O6S MolecularWeight: 455.48364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C22H21N3O6S/c1-2-32(29,30)25-12-10-16-13-17(5-8-19(16)25)20(26)14-31-22(28)15-3-6-18(7-4-15)24-21(27)9-11-23/h3-8,13H,2,9-10,12,14H2,1H3,(H,24,27)