4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-N-[2-(phenylmethyl)phenyl]butanamide

Systemtic Name: 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-N-[2-(phenylmethyl)phenyl]butanamide Openeye Name: N-(2-benzylphenyl)-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-butanamide CAS Name: 4-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-4-oxo-N-[2-(phenylmethyl)phenyl]butanamide IUPAC Name: N-(2-benzylphenyl)-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide Traditional Name: N-(2-benzylphenyl)-4-[4-(4-chlorophenyl)sulfonylpiperazino]-4-keto-butyramide Formula: C27H28ClN3O4S MolecularWeight: 526.04692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H28ClN3O4S/c28-23-10-12-24(13-11-23)36(34,35)31-18-16-30(17-19-31)27(33)15-14-26(32)29-25-9-5-4-8-22(25)20-21-6-2-1-3-7-21/h1-13H,14-20H2,(H,29,32)