N-(2-methoxyphenyl)-2-methyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N-(2-methoxyphenyl)-2-methyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-(2-methoxyphenyl)-2-methyl-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: N-(2-methoxyphenyl)-2-methyl-5-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N-(2-methoxyphenyl)-2-methyl-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: N-(2-methoxyphenyl)-2-methyl-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide Formula: C24H27N4O4S+ MolecularWeight: 467.56058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)S(=O)(=O)NC4=CC=CC=C4OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)S(=O)(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C24H26N4O4S/c1-18-10-11-19(17-22(18)33(30,31)26-20-7-3-4-8-21(20)32-2)24(29)28-15-13-27(14-16-28)23-9-5-6-12-25-23/h3-12,17,26H,13-16H2,1-2H3/p+1