(phenylmethyl) 4-(4-bromophenyl)-2-(methylsulfonylamino)-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(4-bromophenyl)-2-(methylsulfonylamino)-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: benzyl 4-(4-bromophenyl)-2-(methanesulfonamido)-3-oxo-piperazine-1-carboxylate CAS Name: 4-(4-bromophenyl)-2-(methanesulfonamido)-3-oxo-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-bromophenyl)-2-(methanesulfonamido)-3-oxopiperazine-1-carboxylate Traditional Name: 4-(4-bromophenyl)-3-keto-2-(methanesulfonamido)piperazine-1-carboxylic acid benzyl ester Formula: C19H20BrN3O5S MolecularWeight: 482.3482

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1C(=O)N(CCN1C(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

CS(=O)(=O)NC1C(=O)N(CCN1C(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H20BrN3O5S/c1-29(26,27)21-17-18(24)22(16-9-7-15(20)8-10-16)11-12-23(17)19(25)28-13-14-5-3-2-4-6-14/h2-10,17,21H,11-13H2,1H3