methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylsulfamoyl]-3-nitro-benzoate

Systemtic Name: methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylsulfamoyl]-3-nitro-benzoate Openeye Name: methyl 4-[3-(tert-butoxycarbonylamino)propylsulfamoyl]-3-nitro-benzoate CAS Name: 4-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propylsulfamoyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylsulfamoyl]-3-nitrobenzoate Traditional Name: 4-[3-(tert-butoxycarbonylamino)propylsulfamoyl]-3-nitro-benzoic acid methyl ester Formula: C16H23N3O8S MolecularWeight: 417.43412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCNS(=O)(=O)C1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCNS(=O)(=O)C1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O8S/c1-16(2,3)27-15(21)17-8-5-9-18-28(24,25)13-7-6-11(14(20)26-4)10-12(13)19(22)23/h6-7,10,18H,5,8-9H2,1-4H3,(H,17,21)