2-[2-methyl-3-(4-methylphenyl)sulfanyl-6-methylsulfonyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-3-(4-methylphenyl)sulfanyl-6-methylsulfonyl-indol-1-yl]ethanoic acid Openeye Name: 2-[2-methyl-6-methylsulfonyl-3-(p-tolylsulfanyl)indol-1-yl]acetic acid CAS Name: 2-[2-methyl-3-[(4-methylphenyl)thio]-6-methylsulfonyl-1-indolyl]acetic acid IUPAC Name: 2-[2-methyl-3-(4-methylphenyl)sulfanyl-6-methylsulfonylindol-1-yl]acetic acid Traditional Name: 2-[6-mesyl-2-methyl-3-(p-tolylthio)indol-1-yl]acetic acid Formula: C19H19NO4S2 MolecularWeight: 389.48846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO4S2/c1-12-4-6-14(7-5-12)25-19-13(2)20(11-18(21)22)17-10-15(26(3,23)24)8-9-16(17)19/h4-10H,11H2,1-3H3,(H,21,22)