[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-indolin-1-ylsulfonylbenzoate CAS Name: 3-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Traditional Name: 3-indolin-1-ylsulfonylbenzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C20H19N3O5S/c21-10-4-11-22-19(24)14-28-20(25)16-6-3-7-17(13-16)29(26,27)23-12-9-15-5-1-2-8-18(15)23/h1-3,5-8,13H,4,9,11-12,14H2,(H,22,24)