tert-butyl 2-[[1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: tert-butyl 2-[[1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoate Openeye Name: tert-butyl 2-[[1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: 2-[[[1-(3,5-dichlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-[[1-(3,5-dichlorophenyl)sulfonylprolyl]amino]-3-(4-hydroxyphenyl)propionic acid tert-butyl ester Formula: C24H28Cl2N2O6S MolecularWeight: 543.45992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2CCCN2S(=O)(=O)C3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2CCCN2S(=O)(=O)C3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C24H28Cl2N2O6S/c1-24(2,3)34-23(31)20(11-15-6-8-18(29)9-7-15)27-22(30)21-5-4-10-28(21)35(32,33)19-13-16(25)12-17(26)14-19/h6-9,12-14,20-21,29H,4-5,10-11H2,1-3H3,(H,27,30)