2-[[5-bromanyl-1-(3,4-dimethoxyphenyl)sulfonyl-3-(2-fluorophenyl)-3-oxidanyl-2H-indol-2-yl]carbonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[5-bromanyl-1-(3,4-dimethoxyphenyl)sulfonyl-3-(2-fluorophenyl)-3-oxidanyl-2H-indol-2-yl]carbonyl-methyl-amino]ethanoic acid Openeye Name: 2-[[5-bromo-1-(3,4-dimethoxyphenyl)sulfonyl-3-(2-fluorophenyl)-3-hydroxy-indoline-2-carbonyl]-methyl-amino]acetic acid CAS Name: 2-[[[5-bromo-1-(3,4-dimethoxyphenyl)sulfonyl-3-(2-fluorophenyl)-3-hydroxy-2H-indol-2-yl]-oxomethyl]-methylamino]acetic acid IUPAC Name: 2-[[5-bromo-1-(3,4-dimethoxyphenyl)sulfonyl-3-(2-fluorophenyl)-3-hydroxy-2H-indole-2-carbonyl]-methylamino]acetic acid Traditional Name: 2-[[5-bromo-1-(3,4-dimethoxyphenyl)sulfonyl-3-(2-fluorophenyl)-3-hydroxy-indoline-2-carbonyl]-methyl-amino]acetic acid Formula: C26H24BrFN2O8S MolecularWeight: 623.444763

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=O)C1C(C2=C(N1S(=O)(=O)C3=CC(=C(C=C3)OC)OC)C=CC(=C2)Br)(C4=CC=CC=C4F)O

Isomeric SMILES

CN(CC(=O)O)C(=O)C1C(C2=C(N1S(=O)(=O)C3=CC(=C(C=C3)OC)OC)C=CC(=C2)Br)(C4=CC=CC=C4F)O

InChI

InChI=1S/C26H24BrFN2O8S/c1-29(14-23(31)32)25(33)24-26(34,17-6-4-5-7-19(17)28)18-12-15(27)8-10-20(18)30(24)39(35,36)16-9-11-21(37-2)22(13-16)38-3/h4-13,24,34H,14H2,1-3H3,(H,31,32)