2,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]-5-oxidanyl-6-pyridin-1-ium-1-yl-phenolate

Systemtic Name: 2,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]-5-oxidanyl-6-pyridin-1-ium-1-yl-phenolate Openeye Name: 5-hydroxy-2,3-dimethyl-4-(p-tolylsulfonylamino)-6-pyridin-1-ium-1-yl-phenolate CAS Name: 5-hydroxy-2,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]-6-(1-pyridin-1-iumyl)phenolate IUPAC Name: 5-hydroxy-2,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]-6-pyridin-1-ium-1-ylphenolate Traditional Name: 5-hydroxy-2,3-dimethyl-6-pyridin-1-ium-1-yl-4-(tosylamino)phenolate Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=C(C(=C2C)C)[O-])[N+]3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=C(C(=C2C)C)[O-])[N+]3=CC=CC=C3)O

InChI

InChI=1S/C20H20N2O4S/c1-13-7-9-16(10-8-13)27(25,26)21-17-14(2)15(3)19(23)18(20(17)24)22-11-5-4-6-12-22/h4-12,21H,1-3H3,(H-,23,24)