[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-methyl-1-methylsulfonyl-indoline-5-carboxylate CAS Name: 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesyl-2-methyl-indoline-5-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C19H22N4O5S/c1-14-11-16-12-15(5-6-17(16)23(14)29(2,26)27)19(25)28-13-18(24)22(9-3-7-20)10-4-8-21/h5-6,12,14H,3-4,9-11,13H2,1-2H3