[2-chloranyl-5-(pyridin-1-ium-3-ylcarbamoyl)phenyl]sulfonyl-(2,3-dimethylphenyl)azanide

Systemtic Name: [2-chloranyl-5-(pyridin-1-ium-3-ylcarbamoyl)phenyl]sulfonyl-(2,3-dimethylphenyl)azanide Openeye Name: [2-chloro-5-(pyridin-1-ium-3-ylcarbamoyl)phenyl]sulfonyl-(2,3-dimethylphenyl)azanide CAS Name: [2-chloro-5-[oxo-(3-pyridin-1-iumylamino)methyl]phenyl]sulfonyl-(2,3-dimethylphenyl)azanide IUPAC Name: [2-chloro-5-(pyridin-1-ium-3-ylcarbamoyl)phenyl]sulfonyl-(2,3-dimethylphenyl)azanide Traditional Name: [2-chloro-5-(pyridin-1-ium-3-ylcarbamoyl)phenyl]sulfonyl-(2,3-dimethylphenyl)azanide Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN3O3S/c1-13-5-3-7-18(14(13)2)24-28(26,27)19-11-15(8-9-17(19)21)20(25)23-16-6-4-10-22-12-16/h3-12H,1-2H3,(H,23,25)/q-1/p+1