[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate CAS Name: 4-[(4-bromophenyl)sulfonylamino]benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate Traditional Name: 4-(brosylamino)benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C19H18BrN3O5S MolecularWeight: 480.33232

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C19H18BrN3O5S/c1-23(12-2-11-21)18(24)13-28-19(25)14-3-7-16(8-4-14)22-29(26,27)17-9-5-15(20)6-10-17/h3-10,22H,2,12-13H2,1H3