2-[2-methyl-4-(methylsulfonylamino)-3-(2-propan-2-ylphenyl)sulfanyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-4-(methylsulfonylamino)-3-(2-propan-2-ylphenyl)sulfanyl-indol-1-yl]ethanoic acid Openeye Name: 2-[3-(2-isopropylphenyl)sulfanyl-4-(methanesulfonamido)-2-methyl-indol-1-yl]acetic acid CAS Name: 2-[4-(methanesulfonamido)-2-methyl-3-[(2-propan-2-ylphenyl)thio]-1-indolyl]acetic acid IUPAC Name: 2-[4-(methanesulfonamido)-2-methyl-3-(2-propan-2-ylphenyl)sulfanylindol-1-yl]acetic acid Traditional Name: 2-[4-(methanesulfonamido)-2-methyl-3-(o-cumenylthio)indol-1-yl]acetic acid Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC=C2NS(=O)(=O)C)SC3=CC=CC=C3C(C)C

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC=C2NS(=O)(=O)C)SC3=CC=CC=C3C(C)C

InChI

InChI=1S/C21H24N2O4S2/c1-13(2)15-8-5-6-11-18(15)28-21-14(3)23(12-19(24)25)17-10-7-9-16(20(17)21)22-29(4,26)27/h5-11,13,22H,12H2,1-4H3,(H,24,25)