2-[2-methyl-3-[2-(methylsulfonylamino)-2-oxidanylidene-ethanoyl]-1-(phenylmethyl)indol-4-yl]oxyethanoic acid

Systemtic Name: 2-[2-methyl-3-[2-(methylsulfonylamino)-2-oxidanylidene-ethanoyl]-1-(phenylmethyl)indol-4-yl]oxyethanoic acid Openeye Name: 2-[1-benzyl-3-[2-(methanesulfonamido)-2-oxo-acetyl]-2-methyl-indol-4-yl]oxyacetic acid CAS Name: 2-[[3-[2-(methanesulfonamido)-1,2-dioxoethyl]-2-methyl-1-(phenylmethyl)-4-indolyl]oxy]acetic acid IUPAC Name: 2-[1-benzyl-3-[2-(methanesulfonamido)-2-oxoacetyl]-2-methylindol-4-yl]oxyacetic acid Traditional Name: 2-[1-benzyl-3-[2-keto-2-(methanesulfonamido)acetyl]-2-methyl-indol-4-yl]oxyacetic acid Formula: C21H20N2O7S MolecularWeight: 444.4577

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)O)C(=O)C(=O)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)O)C(=O)C(=O)NS(=O)(=O)C

InChI

InChI=1S/C21H20N2O7S/c1-13-18(20(26)21(27)22-31(2,28)29)19-15(9-6-10-16(19)30-12-17(24)25)23(13)11-14-7-4-3-5-8-14/h3-10H,11-12H2,1-2H3,(H,22,27)(H,24,25)