(4-nitrophenyl)methyl 2-(methylsulfonylaminomethyl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(methylsulfonylaminomethyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(methanesulfonamidomethyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-(methanesulfonamidomethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(methanesulfonamidomethyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-(methanesulfonamidomethyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C14H19N3O6S2 MolecularWeight: 389.44716

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

CS(=O)(=O)NCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

InChI=1S/C14H19N3O6S2/c1-25(21,22)15-7-12-6-13(24)8-16(12)14(18)23-9-10-2-4-11(5-3-10)17(19)20/h2-5,12-13,15,24H,6-9H2,1H3