[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: 2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: 2-(brosylamino)-3-methyl-butyric acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C19H23BrN4O5S MolecularWeight: 499.37872

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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=C(C=C1)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN4O5S/c1-14(2)18(23-30(27,28)16-7-5-15(20)6-8-16)19(26)29-13-17(25)24(11-3-9-21)12-4-10-22/h5-8,14,18,23H,3-4,11-13H2,1-2H3