(4-nitrophenyl)methyl 2-[2-(methylsulfonylamino)ethoxymethyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[2-(methylsulfonylamino)ethoxymethyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[2-(methanesulfonamido)ethoxymethyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[2-(methanesulfonamido)ethoxymethyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-(methanesulfonamido)ethoxymethyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-[2-(methanesulfonamido)ethoxymethyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H23N3O7S2 MolecularWeight: 433.49972

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCOCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

CS(=O)(=O)NCCOCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

InChI=1S/C16H23N3O7S2/c1-28(23,24)17-6-7-25-11-14-8-15(27)9-18(14)16(20)26-10-12-2-4-13(5-3-12)19(21)22/h2-5,14-15,17,27H,6-11H2,1H3