5-[(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 5-[(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxylic acid Openeye Name: 5-(p-tolylsulfonylamino)benzothiophene-2-carboxylic acid CAS Name: 5-[(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxylic acid IUPAC Name: 5-[(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxylic acid Traditional Name: 5-(tosylamino)benzothiophene-2-carboxylic acid Formula: C16H13NO4S2 MolecularWeight: 347.40872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)O

InChI

InChI=1S/C16H13NO4S2/c1-10-2-5-13(6-3-10)23(20,21)17-12-4-7-14-11(8-12)9-15(22-14)16(18)19/h2-9,17H,1H3,(H,18,19)