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

Systemtic Name: (phenylmethyl) 4-(4-bromophenyl)-2-(chloranylsulfonylamino)-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: benzyl 4-(4-bromophenyl)-2-(chlorosulfonylamino)-3-oxo-piperazine-1-carboxylate CAS Name: 4-(4-bromophenyl)-2-(chlorosulfonylamino)-3-oxo-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-bromophenyl)-2-(chlorosulfonylamino)-3-oxopiperazine-1-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(chlorosulfonylamino)-3-keto-piperazine-1-carboxylic acid benzyl ester Formula: C18H17BrClN3O5S MolecularWeight: 502.76668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(N1C(=O)OCC2=CC=CC=C2)NS(=O)(=O)Cl)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(C(=O)C(N1C(=O)OCC2=CC=CC=C2)NS(=O)(=O)Cl)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H17BrClN3O5S/c19-14-6-8-15(9-7-14)22-10-11-23(16(17(22)24)21-29(20,26)27)18(25)28-12-13-4-2-1-3-5-13/h1-9,16,21H,10-12H2