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

Systemtic Name: 2-[[1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]-3-(4-phosphonooxyphenyl)propanoic acid Openeye Name: 2-[[1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(4-phosphonooxyphenyl)propanoic acid CAS Name: 2-[[[1-(3,5-dichlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-phosphonooxyphenyl)propanoic acid IUPAC Name: 2-[[1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(4-phosphonooxyphenyl)propanoic acid Traditional Name: 2-[[1-(3,5-dichlorophenyl)sulfonylprolyl]amino]-3-(4-phosphonooxyphenyl)propionic acid Formula: C20H21Cl2N2O9PS MolecularWeight: 567.333501

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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=CC=C(C=C3)OP(=O)(O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)NC(CC3=CC=C(C=C3)OP(=O)(O)O)C(=O)O

InChI

InChI=1S/C20H21Cl2N2O9PS/c21-13-9-14(22)11-16(10-13)35(31,32)24-7-1-2-18(24)19(25)23-17(20(26)27)8-12-3-5-15(6-4-12)33-34(28,29)30/h3-6,9-11,17-18H,1-2,7-8H2,(H,23,25)(H,26,27)(H2,28,29,30)