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

Systemtic Name: N-(4-ethoxyphenyl)-4-methyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-(4-ethoxyphenyl)-4-methyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: N-(4-ethoxyphenyl)-4-methyl-3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N-(4-ethoxyphenyl)-4-methyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: 4-methyl-N-p-phenetyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide Formula: C25H29N4O4S+ MolecularWeight: 481.58716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C25H28N4O4S/c1-3-33-21-10-8-20(9-11-21)27-34(31,32)22-12-7-19(2)23(18-22)25(30)29-16-14-28(15-17-29)24-6-4-5-13-26-24/h4-13,18,27H,3,14-17H2,1-2H3/p+1