6-azanyl-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid; ethanoic acid

Systemtic Name: 6-azanyl-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid; ethanoic acid Openeye Name: acetic acid; 6-amino-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid CAS Name: acetic acid; 6-amino-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid IUPAC Name: acetic acid; 6-amino-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid Traditional Name: acetic acid; 6-amino-2-[isobutyl(tosyl)amino]hexanoic acid Formula: C19H32N2O6S MolecularWeight: 416.53218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)C(CCCCN)C(=O)O.CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)C(CCCCN)C(=O)O.CC(=O)O

InChI

InChI=1S/C17H28N2O4S.C2H4O2/c1-13(2)12-19(16(17(20)21)6-4-5-11-18)24(22,23)15-9-7-14(3)8-10-15;1-2(3)4/h7-10,13,16H,4-6,11-12,18H2,1-3H3,(H,20,21);1H3,(H,3,4)