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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H24N4O3S/c1-18-5-11-21(12-6-18)31(29,30)25-20-9-7-19(8-10-20)23(28)27-16-14-26(15-17-27)22-4-2-3-13-24-22/h2-13,25H,14-17H2,1H3/p+1