(4-nitrophenyl)methyl 2-[(3-methylsulfonyl-2-oxidanylidene-imidazolidin-1-yl)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[(3-methylsulfonyl-2-oxidanylidene-imidazolidin-1-yl)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(3-methylsulfonyl-2-oxo-imidazolidin-1-yl)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[(3-methylsulfonyl-2-oxo-1-imidazolidinyl)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(3-methylsulfonyl-2-oxoimidazolidin-1-yl)methyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[(2-keto-3-mesyl-imidazolidin-1-yl)methyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H22N4O7S2 MolecularWeight: 458.50918

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(C1=O)CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

CS(=O)(=O)N1CCN(C1=O)CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C17H22N4O7S2/c1-30(26,27)20-7-6-18(16(20)22)9-14-8-15(29)10-19(14)17(23)28-11-12-2-4-13(5-3-12)21(24)25/h2-5,14-15,29H,6-11H2,1H3