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

Systemtic Name: (4-methylphenyl)-[4-(pyridin-1-ium-4-ylmethylcarbamoyl)phenyl]sulfonyl-azanide Openeye Name: p-tolyl-[4-(pyridin-1-ium-4-ylmethylcarbamoyl)phenyl]sulfonyl-azanide CAS Name: (4-methylphenyl)-[4-[oxo-(4-pyridin-1-iumylmethylamino)methyl]phenyl]sulfonylazanide IUPAC Name: (4-methylphenyl)-[4-(pyridin-1-ium-4-ylmethylcarbamoyl)phenyl]sulfonylazanide Traditional Name: p-tolyl-[4-(pyridin-1-ium-4-ylmethylcarbamoyl)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=C(C=C2)C(=O)NCC3=CC=[NH+]C=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H18N3O3S/c1-15-2-6-18(7-3-15)23-27(25,26)19-8-4-17(5-9-19)20(24)22-14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,24)/q-1/p+1