4-[(1-methyl-1,3-dihydroisoindol-2-yl)sulfonyl]thiophene-2-carboxylic acid

Systemtic Name: 4-[(1-methyl-1,3-dihydroisoindol-2-yl)sulfonyl]thiophene-2-carboxylic acid Openeye Name: 4-(1-methylisoindolin-2-yl)sulfonylthiophene-2-carboxylic acid CAS Name: 4-[(1-methyl-1,3-dihydroisoindol-2-yl)sulfonyl]-2-thiophenecarboxylic acid IUPAC Name: 4-[(1-methyl-1,3-dihydroisoindol-2-yl)sulfonyl]thiophene-2-carboxylic acid Traditional Name: 4-(1-methylisoindolin-2-yl)sulfonyl-2-thenoic acid Formula: C14H13NO4S2 MolecularWeight: 323.38732

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2CN1S(=O)(=O)C3=CSC(=C3)C(=O)O

Isomeric SMILES

CC1C2=CC=CC=C2CN1S(=O)(=O)C3=CSC(=C3)C(=O)O

InChI

InChI=1S/C14H13NO4S2/c1-9-12-5-3-2-4-10(12)7-15(9)21(18,19)11-6-13(14(16)17)20-8-11/h2-6,8-9H,7H2,1H3,(H,16,17)