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

Systemtic Name: N-methyl-N-phenyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-methyl-N-phenyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: N-methyl-3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-N-phenylbenzenesulfonamide IUPAC Name: N-methyl-N-phenyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: N-methyl-N-phenyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide Formula: C23H25N4O3S+ MolecularWeight: 437.5346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O3S/c1-25(20-9-3-2-4-10-20)31(29,30)21-11-7-8-19(18-21)23(28)27-16-14-26(15-17-27)22-12-5-6-13-24-22/h2-13,18H,14-17H2,1H3/p+1