4-[(4-methylphenyl)sulfonylamino]-[1]benzothiolo[3,2-b]pyridine-3-carboxylic acid

Systemtic Name: 4-[(4-methylphenyl)sulfonylamino]-[1]benzothiolo[3,2-b]pyridine-3-carboxylic acid Openeye Name: 4-(p-tolylsulfonylamino)benzothiopheno[3,2-b]pyridine-3-carboxylic acid CAS Name: 4-[(4-methylphenyl)sulfonylamino]-[1]benzothiolo[3,2-b]pyridine-3-carboxylic acid IUPAC Name: 4-[(4-methylphenyl)sulfonylamino]-[1]benzothiolo[3,2-b]pyridine-3-carboxylic acid Traditional Name: 4-(tosylamino)benzothiopheno[3,2-b]pyridine-3-carboxylic acid Formula: C19H14N2O4S2 MolecularWeight: 398.45546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=NC=C2C(=O)O)C4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=NC=C2C(=O)O)C4=CC=CC=C4S3

InChI

InChI=1S/C19H14N2O4S2/c1-11-6-8-12(9-7-11)27(24,25)21-17-14(19(22)23)10-20-16-13-4-2-3-5-15(13)26-18(16)17/h2-10H,1H3,(H,20,21)(H,22,23)