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

Systemtic Name: 1-[5-chloranyl-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxidanylidene-indol-3-yl]-4-methoxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxo-indolin-3-yl]-4-methoxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxo-3-indolyl]-4-methoxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-methoxypyrrolidine-2-carboxylic acid Traditional Name: 1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-keto-3-(2-methoxyphenyl)indolin-3-yl]-4-methoxy-proline Formula: C29H29ClN2O9S MolecularWeight: 617.06656

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(N(C1)C2(C3=C(C=CC(=C3)Cl)N(C2=O)S(=O)(=O)C4=C(C=C(C=C4)OC)OC)C5=CC=CC=C5OC)C(=O)O

Isomeric SMILES

COC1CC(N(C1)C2(C3=C(C=CC(=C3)Cl)N(C2=O)S(=O)(=O)C4=C(C=C(C=C4)OC)OC)C5=CC=CC=C5OC)C(=O)O

InChI

InChI=1S/C29H29ClN2O9S/c1-38-18-10-12-26(25(15-18)41-4)42(36,37)32-22-11-9-17(30)13-21(22)29(28(32)35,20-7-5-6-8-24(20)40-3)31-16-19(39-2)14-23(31)27(33)34/h5-13,15,19,23H,14,16H2,1-4H3,(H,33,34)