tert-butyl 4-ethanoylsulfanyl-2-[[(2-methylpropan-2-yl)oxycarbonyl-sulfamoyl-amino]methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-ethanoylsulfanyl-2-[[(2-methylpropan-2-yl)oxycarbonyl-sulfamoyl-amino]methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-acetylsulfanyl-2-[[tert-butoxycarbonyl(sulfamoyl)amino]methyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]-sulfamoylamino]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-acetylsulfanyl-2-[[(2-methylpropan-2-yl)oxycarbonyl-sulfamoylamino]methyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[[tert-butoxycarbonyl(sulfamoyl)amino]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C17H31N3O7S2 MolecularWeight: 453.57394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)S(=O)(=O)N

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)S(=O)(=O)N

InChI

InChI=1S/C17H31N3O7S2/c1-11(21)28-13-8-12(19(10-13)14(22)26-16(2,3)4)9-20(29(18,24)25)15(23)27-17(5,6)7/h12-13H,8-10H2,1-7H3,(H2,18,24,25)