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

Systemtic Name: (4-methylphenyl)-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]sulfonyl-azanide Openeye Name: p-tolyl-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]sulfonyl-azanide CAS Name: (4-methylphenyl)-[4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]sulfonylazanide IUPAC Name: (4-methylphenyl)-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]sulfonylazanide Traditional Name: p-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=C(C=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

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

InChI

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