(3-methylphenyl)-[4-methyl-3-(pyridin-1-ium-3-ylmethylcarbamoyl)phenyl]sulfonyl-azanide

Systemtic Name: (3-methylphenyl)-[4-methyl-3-(pyridin-1-ium-3-ylmethylcarbamoyl)phenyl]sulfonyl-azanide Openeye Name: [4-methyl-3-(pyridin-1-ium-3-ylmethylcarbamoyl)phenyl]sulfonyl-(m-tolyl)azanide CAS Name: [4-methyl-3-[oxo-(3-pyridin-1-iumylmethylamino)methyl]phenyl]sulfonyl-(3-methylphenyl)azanide IUPAC Name: (3-methylphenyl)-[4-methyl-3-(pyridin-1-ium-3-ylmethylcarbamoyl)phenyl]sulfonylazanide Traditional Name: [4-methyl-3-(pyridin-1-ium-3-ylmethylcarbamoyl)phenyl]sulfonyl-(m-tolyl)azanide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[N-]S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NCC3=C[NH+]=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)[N-]S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NCC3=C[NH+]=CC=C3

InChI

InChI=1S/C21H20N3O3S/c1-15-5-3-7-18(11-15)24-28(26,27)19-9-8-16(2)20(12-19)21(25)23-14-17-6-4-10-22-13-17/h3-13H,14H2,1-2H3,(H,23,25)/q-1/p+1