[3-[(4-methylphenyl)sulfonyl-naphthalen-1-yl-amino]-2-oxidanyl-propyl]-bis(2-methylpropyl)azanium chloride

Systemtic Name: [3-[(4-methylphenyl)sulfonyl-naphthalen-1-yl-amino]-2-oxidanyl-propyl]-bis(2-methylpropyl)azanium chloride Openeye Name: [2-hydroxy-3-[1-naphthyl(p-tolylsulfonyl)amino]propyl]-diisobutyl-ammonium chloride CAS Name: [2-hydroxy-3-[(4-methylphenyl)sulfonyl-(1-naphthalenyl)amino]propyl]-bis(2-methylpropyl)ammonium chloride IUPAC Name: [2-hydroxy-3-[(4-methylphenyl)sulfonyl-naphthalen-1-ylamino]propyl]-bis(2-methylpropyl)azanium chloride Traditional Name: [2-hydroxy-3-[1-naphthyl(tosyl)amino]propyl]-diisobutyl-ammonium chloride Formula: C28H39ClN2O3S MolecularWeight: 519.13886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[NH+](CC(C)C)CC(C)C)O)C2=CC=CC3=CC=CC=C32.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[NH+](CC(C)C)CC(C)C)O)C2=CC=CC3=CC=CC=C32.[Cl-]

InChI

InChI=1S/C28H38N2O3S.ClH/c1-21(2)17-29(18-22(3)4)19-25(31)20-30(34(32,33)26-15-13-23(5)14-16-26)28-12-8-10-24-9-6-7-11-27(24)28;/h6-16,21-22,25,31H,17-20H2,1-5H3;1H