(2-chlorophenyl)-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]sulfonyl-azanide

Systemtic Name: (2-chlorophenyl)-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]sulfonyl-azanide Openeye Name: (2-chlorophenyl)-[3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]sulfonyl-azanide CAS Name: (2-chlorophenyl)-[3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]sulfonylazanide IUPAC Name: (2-chlorophenyl)-[3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]sulfonylazanide Traditional Name: (2-chlorophenyl)-[3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]sulfonyl-azanide Formula: C22H21ClN4O3S MolecularWeight: 456.94514

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=CC=C3)S(=O)(=O)[N-]C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=CC=C3)S(=O)(=O)[N-]C4=CC=CC=C4Cl

InChI

InChI=1S/C22H20ClN4O3S/c23-19-8-1-2-9-20(19)25-31(29,30)18-7-5-6-17(16-18)22(28)27-14-12-26(13-15-27)21-10-3-4-11-24-21/h1-11,16H,12-15H2/q-1/p+1