dibutyl-[3-[(4-methylphenyl)-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl]azanium chloride

Systemtic Name: dibutyl-[3-[(4-methylphenyl)-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl]azanium chloride Openeye Name: dibutyl-[2-hydroxy-3-[4-methyl-N-(p-tolylsulfonyl)anilino]propyl]ammonium chloride CAS Name: dibutyl-[2-hydroxy-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propyl]ammonium chloride IUPAC Name: dibutyl-[2-hydroxy-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propyl]azanium chloride Traditional Name: dibutyl-[2-hydroxy-3-(4-methyl-N-tosyl-anilino)propyl]ammonium chloride Formula: C25H39ClN2O3S MolecularWeight: 483.10676

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC(CN(C1=CC=C(C=C1)C)S(=O)(=O)C2=CC=C(C=C2)C)O.[Cl-]

Isomeric SMILES

CCCC[NH+](CCCC)CC(CN(C1=CC=C(C=C1)C)S(=O)(=O)C2=CC=C(C=C2)C)O.[Cl-]

InChI

InChI=1S/C25H38N2O3S.ClH/c1-5-7-17-26(18-8-6-2)19-24(28)20-27(23-13-9-21(3)10-14-23)31(29,30)25-15-11-22(4)12-16-25;/h9-16,24,28H,5-8,17-20H2,1-4H3;1H