2-[[1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]-3-[4-[3,5-bis(chloranyl)pyridin-4-yl]carbonyloxycyclohexen-1-yl]propanoic acid

Systemtic Name: 2-[[1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]-3-[4-[3,5-bis(chloranyl)pyridin-4-yl]carbonyloxycyclohexen-1-yl]propanoic acid Openeye Name: 2-[[1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-[4-(3,5-dichloropyridine-4-carbonyl)oxycyclohexen-1-yl]propanoic acid CAS Name: 2-[[[1-(3,5-dichlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-[4-[(3,5-dichloro-4-pyridinyl)-oxomethoxy]-1-cyclohexenyl]propanoic acid IUPAC Name: 2-[[1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-[4-(3,5-dichloropyridine-4-carbonyl)oxycyclohexen-1-yl]propanoic acid Traditional Name: 3-[4-(3,5-dichloroisonicotinoyl)oxycyclohexen-1-yl]-2-[[1-(3,5-dichlorophenyl)sulfonylprolyl]amino]propionic acid Formula: C26H25Cl4N3O7S MolecularWeight: 665.3696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)NC(CC3=CCC(CC3)OC(=O)C4=C(C=NC=C4Cl)Cl)C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)NC(CC3=CCC(CC3)OC(=O)C4=C(C=NC=C4Cl)Cl)C(=O)O

InChI

InChI=1S/C26H25Cl4N3O7S/c27-15-9-16(28)11-18(10-15)41(38,39)33-7-1-2-22(33)24(34)32-21(25(35)36)8-14-3-5-17(6-4-14)40-26(37)23-19(29)12-31-13-20(23)30/h3,9-13,17,21-22H,1-2,4-8H2,(H,32,34)(H,35,36)