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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28ClN3O3S/c27-23-9-11-25(12-10-23)34(32,33)28-24-8-4-7-22(19-24)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