(2-methylphenyl)sulfonyl 2-[(2-methylphenyl)sulfonyl-[(2S)-4-oxidanylpyrrolidin-2-yl]carbonyl-amino]ethanoate

Systemtic Name: (2-methylphenyl)sulfonyl 2-[(2-methylphenyl)sulfonyl-[(2S)-4-oxidanylpyrrolidin-2-yl]carbonyl-amino]ethanoate Openeye Name: o-tolylsulfonyl 2-[[(2S)-4-hydroxypyrrolidine-2-carbonyl]-(o-tolylsulfonyl)amino]acetate CAS Name: 2-[[[(2S)-4-hydroxy-2-pyrrolidinyl]-oxomethyl]-(2-methylphenyl)sulfonylamino]acetic acid (2-methylphenyl)sulfonyl ester IUPAC Name: (2-methylphenyl)sulfonyl 2-[[(2S)-4-hydroxypyrrolidine-2-carbonyl]-(2-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[[(2S)-4-hydroxyprolyl]-(o-tolylsulfonyl)amino]acetic acid o-tolylsulfonyl ester Formula: C21H24N2O8S2 MolecularWeight: 496.55386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)N(CC(=O)OS(=O)(=O)C2=CC=CC=C2C)C(=O)C3CC(CN3)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)N(CC(=O)OS(=O)(=O)C2=CC=CC=C2C)C(=O)[C@@H]3CC(CN3)O

InChI

InChI=1S/C21H24N2O8S2/c1-14-7-3-5-9-18(14)32(27,28)23(21(26)17-11-16(24)12-22-17)13-20(25)31-33(29,30)19-10-6-4-8-15(19)2/h3-10,16-17,22,24H,11-13H2,1-2H3/t16?,17-/m0/s1