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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S/c1-26(32(30,31)24-10-6-3-7-11-24)23-14-12-22(13-15-23)25(29)28-18-16-27(17-19-28)20-21-8-4-2-5-9-21/h2-15H,16-20H2,1H3/p+1