N-[[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]methyl]benzenesulfonamide

Systemtic Name: N-[[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]methyl]benzenesulfonamide Openeye Name: N-[[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide CAS Name: N-[[4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]methyl]benzenesulfonamide IUPAC Name: N-[[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide Traditional Name: N-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzyl]benzenesulfonamide Formula: C23H25N4O3S+ MolecularWeight: 437.5346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(C=C3)CNS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(C=C3)CNS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O3S/c28-23(27-16-14-26(15-17-27)22-8-4-5-13-24-22)20-11-9-19(10-12-20)18-25-31(29,30)21-6-2-1-3-7-21/h1-13,25H,14-18H2/p+1