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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCNS(=O)(=O)C1=C(C=CC(=C1O)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCCNS(=O)(=O)C1=C(C=CC(=C1O)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C17H24ClN3O9S/c1-17(2,3)30-16(25)20-11(15(23)24)6-4-5-9-19-31(28,29)14-10(18)7-8-12(13(14)22)21(26)27/h7-8,11,19,22H,4-6,9H2,1-3H3,(H,20,25)(H,23,24)