(4-nitrophenyl)methyl 4-[(4-methoxyphenyl)methylsulfanyl]-2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-[(4-methoxyphenyl)methylsulfanyl]-2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-[(4-methoxyphenyl)methylsulfanyl]-2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate CAS Name: 4-[(4-methoxyphenyl)methylthio]-2-(methylsulfonyloxymethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-[(4-methoxyphenyl)methylsulfanyl]-2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate Traditional Name: 2-(methylsulfonyloxymethyl)-4-(p-anisylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C22H26N2O8S2 MolecularWeight: 510.58044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2CC(N(C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])COS(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CC(N(C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])COS(=O)(=O)C

InChI

InChI=1S/C22H26N2O8S2/c1-30-20-9-5-17(6-10-20)15-33-21-11-19(14-32-34(2,28)29)23(12-21)22(25)31-13-16-3-7-18(8-4-16)24(26)27/h3-10,19,21H,11-15H2,1-2H3