1-[5-chloranyl-1-(3,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxidanylidene-indol-3-yl]-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[5-chloranyl-1-(3,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxidanylidene-indol-3-yl]-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[5-chloro-1-(3,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxo-indolin-3-yl]-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[5-chloro-1-(3,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxo-3-indolyl]-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[5-chloro-1-(3,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-[5-chloro-1-(3,4-dimethoxyphenyl)sulfonyl-2-keto-3-(2-methoxyphenyl)indolin-3-yl]-4-hydroxy-proline Formula: C28H27ClN2O9S MolecularWeight: 603.03998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)Cl)C(C2=O)(C4=CC=CC=C4OC)N5CC(CC5C(=O)O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)Cl)C(C2=O)(C4=CC=CC=C4OC)N5CC(CC5C(=O)O)O)OC

InChI

InChI=1S/C28H27ClN2O9S/c1-38-23-7-5-4-6-19(23)28(30-15-17(32)13-22(30)26(33)34)20-12-16(29)8-10-21(20)31(27(28)35)41(36,37)18-9-11-24(39-2)25(14-18)40-3/h4-12,14,17,22,32H,13,15H2,1-3H3,(H,33,34)