(2-methylphenyl)-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]sulfonyl-azanide

Systemtic Name: (2-methylphenyl)-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]sulfonyl-azanide Openeye Name: o-tolyl-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]sulfonyl-azanide CAS Name: (2-methylphenyl)-[4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]sulfonylazanide IUPAC Name: (2-methylphenyl)-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]sulfonylazanide Traditional Name: o-tolyl-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]sulfonyl-azanide Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[N-]S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=CC=C1[N-]S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H23N4O3S/c1-18-6-2-3-7-21(18)25-31(29,30)20-11-9-19(10-12-20)23(28)27-16-14-26(15-17-27)22-8-4-5-13-24-22/h2-13H,14-17H2,1H3/q-1/p+1