tert-butyl 3-(3-chloranyl-4-oxidanyl-phenyl)-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoate

Systemtic Name: tert-butyl 3-(3-chloranyl-4-oxidanyl-phenyl)-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoate Openeye Name: tert-butyl 3-(3-chloro-4-hydroxy-phenyl)-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]propanoate CAS Name: 3-(3-chloro-4-hydroxyphenyl)-2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3-chloro-4-hydroxyphenyl)-2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoate Traditional Name: 3-(3-chloro-4-hydroxy-phenyl)-2-[(1-tosylprolyl)amino]propionic acid tert-butyl ester Formula: C25H31ClN2O6S MolecularWeight: 523.04144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC(=C(C=C3)O)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC(=C(C=C3)O)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H31ClN2O6S/c1-16-7-10-18(11-8-16)35(32,33)28-13-5-6-21(28)23(30)27-20(24(31)34-25(2,3)4)15-17-9-12-22(29)19(26)14-17/h7-12,14,20-21,29H,5-6,13,15H2,1-4H3,(H,27,30)