1-[[5-chloranyl-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-oxidanyl-2H-indol-2-yl]carbonyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[5-chloranyl-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-oxidanyl-2H-indol-2-yl]carbonyl]piperidine-4-carboxylic acid Openeye Name: 1-[5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy-indoline-2-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy-2H-indol-2-yl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy-2H-indole-2-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy-indoline-2-carbonyl]isonipecotic acid Formula: C29H28Cl2N2O8S MolecularWeight: 635.51222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2C(C(C3=C2C=CC(=C3)Cl)(C4=CC=CC=C4Cl)O)C(=O)N5CCC(CC5)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2C(C(C3=C2C=CC(=C3)Cl)(C4=CC=CC=C4Cl)O)C(=O)N5CCC(CC5)C(=O)O)OC

InChI

InChI=1S/C29H28Cl2N2O8S/c1-40-24-10-8-19(16-25(24)41-2)42(38,39)33-23-9-7-18(30)15-21(23)29(37,20-5-3-4-6-22(20)31)26(33)27(34)32-13-11-17(12-14-32)28(35)36/h3-10,15-17,26,37H,11-14H2,1-2H3,(H,35,36)