ethyl 4-[[(2R,4R)-1-(4-methylphenyl)sulfonyl-4-oxidanyl-pyrrolidin-2-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[(2R,4R)-1-(4-methylphenyl)sulfonyl-4-oxidanyl-pyrrolidin-2-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[(2R,4R)-4-hydroxy-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]benzoate CAS Name: 4-[[[(2R,4R)-4-hydroxy-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2R,4R)-4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate Traditional Name: 4-[[(2R,4R)-4-hydroxy-1-tosyl-prolyl]amino]benzoic acid ethyl ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(CN2S(=O)(=O)C3=CC=C(C=C3)C)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2C[C@H](CN2S(=O)(=O)C3=CC=C(C=C3)C)O

InChI

InChI=1S/C21H24N2O6S/c1-3-29-21(26)15-6-8-16(9-7-15)22-20(25)19-12-17(24)13-23(19)30(27,28)18-10-4-14(2)5-11-18/h4-11,17,19,24H,3,12-13H2,1-2H3,(H,22,25)/t17-,19-/m1/s1