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

Systemtic Name: 1-[5-chloranyl-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxidanylidene-indol-3-yl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxo-indolin-3-yl]pyrrolidine-2-carboxylic acid CAS Name: 1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxo-3-indolyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-keto-3-(2-methoxyphenyl)indolin-3-yl]proline Formula: C28H27ClN2O8S MolecularWeight: 587.04058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)Cl)C(C2=O)(C4=CC=CC=C4OC)N5CCCC5C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)Cl)C(C2=O)(C4=CC=CC=C4OC)N5CCCC5C(=O)O)OC

InChI

InChI=1S/C28H27ClN2O8S/c1-37-18-11-13-25(24(16-18)39-3)40(35,36)31-21-12-10-17(29)15-20(21)28(27(31)34,19-7-4-5-9-23(19)38-2)30-14-6-8-22(30)26(32)33/h4-5,7,9-13,15-16,22H,6,8,14H2,1-3H3,(H,32,33)