1-(4-sulfanylphenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: 1-(4-sulfanylphenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid Openeye Name: 1-(4-sulfanylphenyl)sulfonylindoline-2-carboxylic acid CAS Name: 1-(4-mercaptophenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid IUPAC Name: 1-(4-sulfanylphenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid Traditional Name: 1-(4-mercaptophenyl)sulfonylindoline-2-carboxylic acid Formula: C15H13NO4S2 MolecularWeight: 335.39802

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)S)C(=O)O

Isomeric SMILES

C1C(N(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)S)C(=O)O

InChI

InChI=1S/C15H13NO4S2/c17-15(18)14-9-10-3-1-2-4-13(10)16(14)22(19,20)12-7-5-11(21)6-8-12/h1-8,14,21H,9H2,(H,17,18)