(2,4-dimethylphenyl)-[3-(pyridin-1-ium-3-ylcarbamoyl)phenyl]sulfonyl-azanide

Systemtic Name: (2,4-dimethylphenyl)-[3-(pyridin-1-ium-3-ylcarbamoyl)phenyl]sulfonyl-azanide Openeye Name: (2,4-dimethylphenyl)-[3-(pyridin-1-ium-3-ylcarbamoyl)phenyl]sulfonyl-azanide CAS Name: (2,4-dimethylphenyl)-[3-[oxo-(3-pyridin-1-iumylamino)methyl]phenyl]sulfonylazanide IUPAC Name: (2,4-dimethylphenyl)-[3-(pyridin-1-ium-3-ylcarbamoyl)phenyl]sulfonylazanide Traditional Name: (2,4-dimethylphenyl)-[3-(pyridin-1-ium-3-ylcarbamoyl)phenyl]sulfonyl-azanide Formula: C20H19N3O3S MolecularWeight: 381.44816

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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=C[NH+]=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C20H18N3O3S/c1-14-8-9-19(15(2)11-14)23-27(25,26)18-7-3-5-16(12-18)20(24)22-17-6-4-10-21-13-17/h3-13H,1-2H3,(H,22,24)/q-1/p+1