2-[3-(2-chlorophenyl)sulfanyl-2,5-dimethyl-4-methylsulfonyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(2-chlorophenyl)sulfanyl-2,5-dimethyl-4-methylsulfonyl-indol-1-yl]ethanoic acid Openeye Name: 2-[3-(2-chlorophenyl)sulfanyl-2,5-dimethyl-4-methylsulfonyl-indol-1-yl]acetic acid CAS Name: 2-[3-[(2-chlorophenyl)thio]-2,5-dimethyl-4-methylsulfonyl-1-indolyl]acetic acid IUPAC Name: 2-[3-(2-chlorophenyl)sulfanyl-2,5-dimethyl-4-methylsulfonylindol-1-yl]acetic acid Traditional Name: 2-[3-[(2-chlorophenyl)thio]-4-mesyl-2,5-dimethyl-indol-1-yl]acetic acid Formula: C19H18ClNO4S2 MolecularWeight: 423.93352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N(C(=C2SC3=CC=CC=C3Cl)C)CC(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)N(C(=C2SC3=CC=CC=C3Cl)C)CC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C19H18ClNO4S2/c1-11-8-9-14-17(19(11)27(3,24)25)18(12(2)21(14)10-16(22)23)26-15-7-5-4-6-13(15)20/h4-9H,10H2,1-3H3,(H,22,23)