N-(4-chlorophenyl)-3-[3-[4-(phenylmethyl)piperazin-1-yl]propanoyl]benzenesulfonamide

Systemtic Name: N-(4-chlorophenyl)-3-[3-[4-(phenylmethyl)piperazin-1-yl]propanoyl]benzenesulfonamide Openeye Name: 3-[3-(4-benzylpiperazin-1-yl)propanoyl]-N-(4-chlorophenyl)benzenesulfonamide CAS Name: N-(4-chlorophenyl)-3-[1-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propyl]benzenesulfonamide IUPAC Name: 3-[3-(4-benzylpiperazin-1-yl)propanoyl]-N-(4-chlorophenyl)benzenesulfonamide Traditional Name: 3-[3-(4-benzylpiperazino)propanoyl]-N-(4-chlorophenyl)benzenesulfonamide Formula: C26H28ClN3O3S MolecularWeight: 498.03682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C26H28ClN3O3S/c27-23-9-11-24(12-10-23)28-34(32,33)25-8-4-7-22(19-25)26(31)13-14-29-15-17-30(18-16-29)20-21-5-2-1-3-6-21/h1-12,19,28H,13-18,20H2