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

Systemtic Name: 2-[2-methyl-3-(4-methylsulfonylphenyl)sulfanyl-5-pyridin-3-yl-indol-1-yl]ethanoic acid Openeye Name: 2-[2-methyl-3-(4-methylsulfonylphenyl)sulfanyl-5-(3-pyridyl)indol-1-yl]acetic acid CAS Name: 2-[2-methyl-3-[(4-methylsulfonylphenyl)thio]-5-(3-pyridinyl)-1-indolyl]acetic acid IUPAC Name: 2-[2-methyl-3-(4-methylsulfonylphenyl)sulfanyl-5-pyridin-3-ylindol-1-yl]acetic acid Traditional Name: 2-[3-[(4-mesylphenyl)thio]-2-methyl-5-(3-pyridyl)indol-1-yl]acetic acid Formula: C23H20N2O4S2 MolecularWeight: 452.5459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)C3=CN=CC=C3)SC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)C3=CN=CC=C3)SC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C23H20N2O4S2/c1-15-23(30-18-6-8-19(9-7-18)31(2,28)29)20-12-16(17-4-3-11-24-13-17)5-10-21(20)25(15)14-22(26)27/h3-13H,14H2,1-2H3,(H,26,27)