[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: 2-(benzenesulfonamido)-3-methylbutanoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: 2-(benzenesulfonamido)-3-methyl-butyric acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C19H24N4O5S MolecularWeight: 420.48266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N(CCC#N)CCC#N)NS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)N(CCC#N)CCC#N)NS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C19H24N4O5S/c1-15(2)18(22-29(26,27)16-8-4-3-5-9-16)19(25)28-14-17(24)23(12-6-10-20)13-7-11-21/h3-5,8-9,15,18,22H,6-7,12-14H2,1-2H3