4-[[4-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]-1-prop-2-enoxycarbonyl-pyrrolidin-2-yl]methylsulfamoyl]-1-oxidanyl-naphthalene-2-carboxylic acid

Systemtic Name: 4-[[4-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]-1-prop-2-enoxycarbonyl-pyrrolidin-2-yl]methylsulfamoyl]-1-oxidanyl-naphthalene-2-carboxylic acid Openeye Name: 4-[(1-allyloxycarbonyl-4-tert-butoxycarbonylsulfanyl-pyrrolidin-2-yl)methylsulfamoyl]-1-hydroxy-naphthalene-2-carboxylic acid CAS Name: 1-hydroxy-4-[[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]thio]-1-[oxo(prop-2-enoxy)methyl]-2-pyrrolidinyl]methylsulfamoyl]-2-naphthalenecarboxylic acid IUPAC Name: 1-hydroxy-4-[[4-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]-1-prop-2-enoxycarbonylpyrrolidin-2-yl]methylsulfamoyl]naphthalene-2-carboxylic acid Traditional Name: 4-[[1-allyloxycarbonyl-4-(tert-butoxycarbonylthio)pyrrolidin-2-yl]methylsulfamoyl]-1-hydroxy-2-naphthoic acid Formula: C25H30N2O9S2 MolecularWeight: 566.6437

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)SC1CC(N(C1)C(=O)OCC=C)CNS(=O)(=O)C2=CC(=C(C3=CC=CC=C32)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)SC1CC(N(C1)C(=O)OCC=C)CNS(=O)(=O)C2=CC(=C(C3=CC=CC=C32)O)C(=O)O

InChI

InChI=1S/C25H30N2O9S2/c1-5-10-35-23(31)27-14-16(37-24(32)36-25(2,3)4)11-15(27)13-26-38(33,34)20-12-19(22(29)30)21(28)18-9-7-6-8-17(18)20/h5-9,12,15-16,26,28H,1,10-11,13-14H2,2-4H3,(H,29,30)