[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-[phenyl-(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-[phenyl-(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-[benzyl(phenyl)sulfamoyl]benzoate CAS Name: 3-[phenyl-(phenylmethyl)sulfamoyl]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-[benzyl(phenyl)sulfamoyl]benzoate Traditional Name: 3-[benzyl(phenyl)sulfamoyl]benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C25H23N3O5S/c26-15-8-16-27-24(29)19-33-25(30)21-11-7-14-23(17-21)34(31,32)28(22-12-5-2-6-13-22)18-20-9-3-1-4-10-20/h1-7,9-14,17H,8,16,18-19H2,(H,27,29)