2,5-dimethyl-N-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]benzenesulfonamide

Systemtic Name: 2,5-dimethyl-N-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]benzenesulfonamide Openeye Name: 2,5-dimethyl-N-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide CAS Name: 2,5-dimethyl-N-[4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]benzenesulfonamide IUPAC Name: 2,5-dimethyl-N-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide Traditional Name: 2,5-dimethyl-N-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide Formula: C24H27N4O3S+ MolecularWeight: 451.56118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O3S/c1-18-6-7-19(2)22(17-18)32(30,31)26-21-10-8-20(9-11-21)24(29)28-15-13-27(14-16-28)23-5-3-4-12-25-23/h3-12,17,26H,13-16H2,1-2H3/p+1