5-methylsulfanyl-1-(phenylsulfonyl)indole-2-carboxylic acid

Systemtic Name: 5-methylsulfanyl-1-(phenylsulfonyl)indole-2-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-5-methylsulfanyl-indole-2-carboxylic acid CAS Name: 1-(benzenesulfonyl)-5-(methylthio)-2-indolecarboxylic acid IUPAC Name: 1-(benzenesulfonyl)-5-methylsulfanylindole-2-carboxylic acid Traditional Name: 1-besyl-5-(methylthio)indole-2-carboxylic acid Formula: C16H13NO4S2 MolecularWeight: 347.40872

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N(C(=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC2=C(C=C1)N(C(=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

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