[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-indolin-1-ylsulfonylbenzoate CAS Name: 3-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Traditional Name: 3-indolin-1-ylsulfonylbenzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C23H22N4O5S MolecularWeight: 466.50958

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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)N(CCC#N)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O5S/c24-11-4-13-26(14-5-12-25)22(28)17-32-23(29)19-7-3-8-20(16-19)33(30,31)27-15-10-18-6-1-2-9-21(18)27/h1-3,6-9,16H,4-5,10,13-15,17H2