2-phenyl-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-3H-benzimidazole-5-sulfonamide

Systemtic Name: 2-phenyl-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-3H-benzimidazole-5-sulfonamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-phenyl-3H-benzimidazole-5-sulfonamide CAS Name: 2-phenyl-N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-3H-benzimidazole-5-sulfonamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-phenyl-3H-benzimidazole-5-sulfonamide Traditional Name: N-[3-(4-benzylpiperazino)propyl]-2-phenyl-3H-benzimidazole-5-sulfonamide Formula: C27H31N5O2S MolecularWeight: 489.63234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNS(=O)(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCCNS(=O)(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H31N5O2S/c33-35(34,24-12-13-25-26(20-24)30-27(29-25)23-10-5-2-6-11-23)28-14-7-15-31-16-18-32(19-17-31)21-22-8-3-1-4-9-22/h1-6,8-13,20,28H,7,14-19,21H2,(H,29,30)