methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-5-oxidanylidene-4-(phenylmethyl)piperazine-2-carboxylate

Systemtic Name: methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-5-oxidanylidene-4-(phenylmethyl)piperazine-2-carboxylate Openeye Name: methyl 4-benzyl-1-[4-(4-bromophenyl)phenyl]sulfonyl-5-oxo-piperazine-2-carboxylate CAS Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-5-oxo-4-(phenylmethyl)-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-benzyl-1-[4-(4-bromophenyl)phenyl]sulfonyl-5-oxopiperazine-2-carboxylate Traditional Name: 4-benzyl-1-[4-(4-bromophenyl)phenyl]sulfonyl-5-keto-piperazine-2-carboxylic acid methyl ester Formula: C25H23BrN2O5S MolecularWeight: 543.42952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C(=O)CN1S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CN(C(=O)CN1S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)CC4=CC=CC=C4

InChI

InChI=1S/C25H23BrN2O5S/c1-33-25(30)23-16-27(15-18-5-3-2-4-6-18)24(29)17-28(23)34(31,32)22-13-9-20(10-14-22)19-7-11-21(26)12-8-19/h2-14,23H,15-17H2,1H3