N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide

Systemtic Name: N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]benzenesulfonamide CAS Name: N-[2-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]benzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]benzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]benzenesulfonamide Formula: C24H26N3O3S+ MolecularWeight: 436.54654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O3S/c28-24(27-17-15-26(16-18-27)19-20-9-3-1-4-10-20)22-13-7-8-14-23(22)25-31(29,30)21-11-5-2-6-12-21/h1-14,25H,15-19H2/p+1