methyl (2S,4R)-4-(4-chlorophenyl)carbonyloxy-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-(4-chlorophenyl)carbonyloxy-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-4-(4-chlorobenzoyl)oxy-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-[(4-chlorophenyl)-oxomethoxy]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-(4-chlorobenzoyl)oxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S,4R)-4-(4-chlorobenzoyl)oxy-1-tosyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C20H20ClNO6S MolecularWeight: 437.8939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC)OC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](C[C@H]2C(=O)OC)OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClNO6S/c1-13-3-9-17(10-4-13)29(25,26)22-12-16(11-18(22)20(24)27-2)28-19(23)14-5-7-15(21)8-6-14/h3-10,16,18H,11-12H2,1-2H3/t16-,18+/m1/s1