N-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]benzenesulfonamide

Systemtic Name: N-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]benzenesulfonamide Openeye Name: N-[[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]methyl]benzenesulfonamide CAS Name: N-[[4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]methyl]benzenesulfonamide IUPAC Name: N-[[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]methyl]benzenesulfonamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)benzyl]benzenesulfonamide Formula: C25H28N3O3S+ MolecularWeight: 450.57312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CNS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CNS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S/c29-25(28-17-15-27(16-18-28)20-22-7-3-1-4-8-22)23-13-11-21(12-14-23)19-26-32(30,31)24-9-5-2-6-10-24/h1-14,26H,15-20H2/p+1