5-(1,3-benzodioxol-5-yl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-(o-tolylsulfonylamino)thiophene-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-3-[(2-methylphenyl)sulfonylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-(o-tolylsulfonylamino)-2-thenoic acid Formula: C19H15NO6S2 MolecularWeight: 417.4555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC2=C(SC(=C2)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC2=C(SC(=C2)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C19H15NO6S2/c1-11-4-2-3-5-17(11)28(23,24)20-13-9-16(27-18(13)19(21)22)12-6-7-14-15(8-12)26-10-25-14/h2-9,20H,10H2,1H3,(H,21,22)