(2,4-dimethylphenyl)-[3-[(4-methylpyridin-1-ium-2-yl)carbamoyl]phenyl]sulfonyl-azanide

Systemtic Name: (2,4-dimethylphenyl)-[3-[(4-methylpyridin-1-ium-2-yl)carbamoyl]phenyl]sulfonyl-azanide Openeye Name: (2,4-dimethylphenyl)-[3-[(4-methylpyridin-1-ium-2-yl)carbamoyl]phenyl]sulfonyl-azanide CAS Name: (2,4-dimethylphenyl)-[3-[[(4-methyl-2-pyridin-1-iumyl)amino]-oxomethyl]phenyl]sulfonylazanide IUPAC Name: (2,4-dimethylphenyl)-[3-[(4-methylpyridin-1-ium-2-yl)carbamoyl]phenyl]sulfonylazanide Traditional Name: (2,4-dimethylphenyl)-[3-[(4-methylpyridin-1-ium-2-yl)carbamoyl]phenyl]sulfonyl-azanide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N-]S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=[NH+]C=CC(=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)[N-]S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=[NH+]C=CC(=C3)C)C

InChI

InChI=1S/C21H20N3O3S/c1-14-7-8-19(16(3)11-14)24-28(26,27)18-6-4-5-17(13-18)21(25)23-20-12-15(2)9-10-22-20/h4-13H,1-3H3,(H,22,23,25)/q-1/p+1