methyl (2S,4R)-4-[(4-chlorophenyl)sulfonyl-methoxycarbonyl-amino]-1-(phenylmethyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-[(4-chlorophenyl)sulfonyl-methoxycarbonyl-amino]-1-(phenylmethyl)pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-1-benzyl-4-[(4-chlorophenyl)sulfonyl-methoxycarbonyl-amino]pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-[(4-chlorophenyl)sulfonyl-methoxycarbonylamino]-1-(phenylmethyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-benzyl-4-[(4-chlorophenyl)sulfonyl-methoxycarbonylamino]pyrrolidine-2-carboxylate Traditional Name: (2S,4R)-1-benzyl-4-[carbomethoxy-(4-chlorophenyl)sulfonyl-amino]pyrrolidine-2-carboxylic acid methyl ester Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1CC2=CC=CC=C2)N(C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](CN1CC2=CC=CC=C2)N(C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN2O6S/c1-29-20(25)19-12-17(14-23(19)13-15-6-4-3-5-7-15)24(21(26)30-2)31(27,28)18-10-8-16(22)9-11-18/h3-11,17,19H,12-14H2,1-2H3/t17-,19+/m1/s1