2-[2-methyl-7-(methylsulfonylamino)-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoic acid

Systemtic Name: 2-[2-methyl-7-(methylsulfonylamino)-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoic acid Openeye Name: 2-[1-benzyl-7-(methanesulfonamido)-2-methyl-3-oxamoyl-indol-4-yl]oxyacetic acid CAS Name: 2-[[7-(methanesulfonamido)-2-methyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]oxy]acetic acid IUPAC Name: 2-[1-benzyl-7-(methanesulfonamido)-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid Traditional Name: 2-[1-benzyl-7-(methanesulfonamido)-2-methyl-3-oxamoyl-indol-4-yl]oxyacetic acid Formula: C21H21N3O7S MolecularWeight: 459.47234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC(=C2N1CC3=CC=CC=C3)NS(=O)(=O)C)OCC(=O)O)C(=O)C(=O)N

Isomeric SMILES

CC1=C(C2=C(C=CC(=C2N1CC3=CC=CC=C3)NS(=O)(=O)C)OCC(=O)O)C(=O)C(=O)N

InChI

InChI=1S/C21H21N3O7S/c1-12-17(20(27)21(22)28)18-15(31-11-16(25)26)9-8-14(23-32(2,29)30)19(18)24(12)10-13-6-4-3-5-7-13/h3-9,23H,10-11H2,1-2H3,(H2,22,28)(H,25,26)