6-[3-chloranyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-nitro-5-oxidanyl-4-sulfamoyl-phenyl]hexanoic acid

Systemtic Name: 6-[3-chloranyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-nitro-5-oxidanyl-4-sulfamoyl-phenyl]hexanoic acid Openeye Name: 6-[2-(tert-butoxycarbonylamino)-3-chloro-5-hydroxy-6-nitro-4-sulfamoyl-phenyl]hexanoic acid CAS Name: 6-[3-chloro-5-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-nitro-4-sulfamoylphenyl]hexanoic acid IUPAC Name: 6-[3-chloro-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-nitro-4-sulfamoylphenyl]hexanoic acid Traditional Name: 6-[2-(tert-butoxycarbonylamino)-3-chloro-5-hydroxy-6-nitro-4-sulfamoyl-phenyl]hexanoic acid Formula: C17H24ClN3O9S MolecularWeight: 481.90516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C(=C(C(=C1Cl)S(=O)(=O)N)O)[N+](=O)[O-])CCCCCC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C(=C(C(=C1Cl)S(=O)(=O)N)O)[N+](=O)[O-])CCCCCC(=O)O

InChI

InChI=1S/C17H24ClN3O9S/c1-17(2,3)30-16(25)20-12-9(7-5-4-6-8-10(22)23)13(21(26)27)14(24)15(11(12)18)31(19,28)29/h24H,4-8H2,1-3H3,(H,20,25)(H,22,23)(H2,19,28,29)