(3,4-dimethylphenyl)-[2-methyl-5-(pyridin-1-ium-4-ylmethylcarbamoyl)phenyl]sulfonyl-azanide

Systemtic Name: (3,4-dimethylphenyl)-[2-methyl-5-(pyridin-1-ium-4-ylmethylcarbamoyl)phenyl]sulfonyl-azanide Openeye Name: (3,4-dimethylphenyl)-[2-methyl-5-(pyridin-1-ium-4-ylmethylcarbamoyl)phenyl]sulfonyl-azanide CAS Name: (3,4-dimethylphenyl)-[2-methyl-5-[oxo-(4-pyridin-1-iumylmethylamino)methyl]phenyl]sulfonylazanide IUPAC Name: (3,4-dimethylphenyl)-[2-methyl-5-(pyridin-1-ium-4-ylmethylcarbamoyl)phenyl]sulfonylazanide Traditional Name: (3,4-dimethylphenyl)-[2-methyl-5-(pyridin-1-ium-4-ylmethylcarbamoyl)phenyl]sulfonyl-azanide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N3O3S/c1-15-5-7-20(12-17(15)3)25-29(27,28)21-13-19(6-4-16(21)2)22(26)24-14-18-8-10-23-11-9-18/h4-13H,14H2,1-3H3,(H,24,26)/q-1/p+1