2-[[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-(3,4-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-(3,4-dichlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-(3,4-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-(3,4-dichlorophenyl)sulfonylprolyl]amino]-3-phenyl-propionic acid Formula: C20H20Cl2N2O5S MolecularWeight: 471.3542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20Cl2N2O5S/c21-15-9-8-14(12-16(15)22)30(28,29)24-10-4-7-18(24)19(25)23-17(20(26)27)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,12,17-18H,4,7,10-11H2,(H,23,25)(H,26,27)