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

Systemtic Name: 2-[3-(4-chlorophenyl)sulfanyl-2-methyl-5-methylsulfonyl-indol-1-yl]ethanoic acid Openeye Name: 2-[3-(4-chlorophenyl)sulfanyl-2-methyl-5-methylsulfonyl-indol-1-yl]acetic acid CAS Name: 2-[3-[(4-chlorophenyl)thio]-2-methyl-5-methylsulfonyl-1-indolyl]acetic acid IUPAC Name: 2-[3-(4-chlorophenyl)sulfanyl-2-methyl-5-methylsulfonylindol-1-yl]acetic acid Traditional Name: 2-[3-[(4-chlorophenyl)thio]-5-mesyl-2-methyl-indol-1-yl]acetic acid Formula: C18H16ClNO4S2 MolecularWeight: 409.90694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)S(=O)(=O)C)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)S(=O)(=O)C)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClNO4S2/c1-11-18(25-13-5-3-12(19)4-6-13)15-9-14(26(2,23)24)7-8-16(15)20(11)10-17(21)22/h3-9H,10H2,1-2H3,(H,21,22)