N-(4-methoxyphenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N-(4-methoxyphenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-(4-methoxyphenyl)-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: N-(4-methoxyphenyl)-3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N-(4-methoxyphenyl)-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: N-(4-methoxyphenyl)-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide Formula: C23H25N4O4S+ MolecularWeight: 453.534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H24N4O4S/c1-31-20-10-8-19(9-11-20)25-32(29,30)21-6-4-5-18(17-21)23(28)27-15-13-26(14-16-27)22-7-2-3-12-24-22/h2-12,17,25H,13-16H2,1H3/p+1