3-(4-methylphenyl)sulfanyl-6-methylsulfonyl-1H-indole-2-carboxylic acid

Systemtic Name: 3-(4-methylphenyl)sulfanyl-6-methylsulfonyl-1H-indole-2-carboxylic acid Openeye Name: 6-methylsulfonyl-3-(p-tolylsulfanyl)-1H-indole-2-carboxylic acid CAS Name: 3-[(4-methylphenyl)thio]-6-methylsulfonyl-1H-indole-2-carboxylic acid IUPAC Name: 3-(4-methylphenyl)sulfanyl-6-methylsulfonyl-1H-indole-2-carboxylic acid Traditional Name: 6-mesyl-3-(p-tolylthio)-1H-indole-2-carboxylic acid Formula: C17H15NO4S2 MolecularWeight: 361.4353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C17H15NO4S2/c1-10-3-5-11(6-4-10)23-16-13-8-7-12(24(2,21)22)9-14(13)18-15(16)17(19)20/h3-9,18H,1-2H3,(H,19,20)