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

Systemtic Name: 2-[3-(4-methoxyphenyl)sulfanyl-2-methyl-4-(methylsulfonylamino)indol-1-yl]ethanoic acid Openeye Name: 2-[4-(methanesulfonamido)-3-(4-methoxyphenyl)sulfanyl-2-methyl-indol-1-yl]acetic acid CAS Name: 2-[4-(methanesulfonamido)-3-[(4-methoxyphenyl)thio]-2-methyl-1-indolyl]acetic acid IUPAC Name: 2-[4-(methanesulfonamido)-3-(4-methoxyphenyl)sulfanyl-2-methylindol-1-yl]acetic acid Traditional Name: 2-[4-(methanesulfonamido)-3-[(4-methoxyphenyl)thio]-2-methyl-indol-1-yl]acetic acid Formula: C19H20N2O5S2 MolecularWeight: 420.5025

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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=C(C=C3)OC

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC=C2NS(=O)(=O)C)SC3=CC=C(C=C3)OC

InChI

InChI=1S/C19H20N2O5S2/c1-12-19(27-14-9-7-13(26-2)8-10-14)18-15(20-28(3,24)25)5-4-6-16(18)21(12)11-17(22)23/h4-10,20H,11H2,1-3H3,(H,22,23)