[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 5-indolin-1-ylsulfonyl-2-methoxy-benzoate CAS Name: 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-indolin-1-ylsulfonyl-2-methoxy-benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C24H24N4O6S MolecularWeight: 496.53556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C24H24N4O6S/c1-33-22-9-8-19(35(31,32)28-15-10-18-6-2-3-7-21(18)28)16-20(22)24(30)34-17-23(29)27(13-4-11-25)14-5-12-26/h2-3,6-9,16H,4-5,10,13-15,17H2,1H3