2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]phenyl]carbonylamino]ethanoic acid; 2-[2-methyl-3-oxamoyl-1-(phenylmethyl)indol-5-yl]oxyethanoic acid

Systemtic Name: 2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]phenyl]carbonylamino]ethanoic acid; 2-[2-methyl-3-oxamoyl-1-(phenylmethyl)indol-5-yl]oxyethanoic acid Openeye Name: 2-(1-benzyl-2-methyl-3-oxamoyl-indol-5-yl)oxyacetic acid; 2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetic acid CAS Name: 2-[[[2-[[4-(2,2-dimethyl-1-oxopropoxy)phenyl]sulfonylamino]phenyl]-oxomethyl]amino]acetic acid; 2-[[2-methyl-3-oxamoyl-1-(phenylmethyl)-5-indolyl]oxy]acetic acid IUPAC Name: 2-(1-benzyl-2-methyl-3-oxamoylindol-5-yl)oxyacetic acid; 2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetic acid Traditional Name: 2-(1-benzyl-2-methyl-3-oxamoyl-indol-5-yl)oxyacetic acid; 2-[[2-[(4-pivaloyloxyphenyl)sulfonylamino]benzoyl]amino]acetic acid Formula: C40H40N4O12S MolecularWeight: 800.8302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCC(=O)O)C(=O)C(=O)N.CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCC(=O)O)C(=O)C(=O)N.CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)O

InChI

InChI=1S/C20H22N2O7S.C20H18N2O5/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24;1-12-18(19(25)20(21)26)15-9-14(27-11-17(23)24)7-8-16(15)22(12)10-13-5-3-2-4-6-13/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24);2-9H,10-11H2,1H3,(H2,21,26)(H,23,24)