6-azanyl-2-[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]hexanoic acid hydrochloride

Systemtic Name: 6-azanyl-2-[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]hexanoic acid hydrochloride Openeye Name: 6-amino-2-[isobutyl-(4-nitrophenyl)sulfonyl-amino]hexanoic acid hydrochloride CAS Name: 6-amino-2-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]hexanoic acid hydrochloride IUPAC Name: 6-amino-2-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]hexanoic acid hydrochloride Traditional Name: 6-amino-2-[isobutyl(nosyl)amino]hexanoic acid hydrochloride Formula: C16H26ClN3O6S MolecularWeight: 423.91214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(CCCCN)C(=O)O)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-].Cl

Isomeric SMILES

CC(C)CN(C(CCCCN)C(=O)O)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-].Cl

InChI

InChI=1S/C16H25N3O6S.ClH/c1-12(2)11-18(15(16(20)21)5-3-4-10-17)26(24,25)14-8-6-13(7-9-14)19(22)23;/h6-9,12,15H,3-5,10-11,17H2,1-2H3,(H,20,21);1H