4-ethoxy-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]benzenesulfonamide

Systemtic Name: 4-ethoxy-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]benzenesulfonamide Openeye Name: 4-ethoxy-N-[3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide CAS Name: 4-ethoxy-N-[3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]benzenesulfonamide IUPAC Name: 4-ethoxy-N-[3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide Traditional Name: 4-ethoxy-N-[3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide Formula: C24H27N4O4S+ MolecularWeight: 467.56058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

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