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

Systemtic Name: dibutyl-[3-[(4-methylphenyl)sulfonyl-phenyl-amino]-2-oxidanyl-propyl]azanium chloride Openeye Name: dibutyl-[2-hydroxy-3-[N-(p-tolylsulfonyl)anilino]propyl]ammonium chloride CAS Name: dibutyl-[2-hydroxy-3-(N-(4-methylphenyl)sulfonylanilino)propyl]ammonium chloride IUPAC Name: dibutyl-[2-hydroxy-3-(N-(4-methylphenyl)sulfonylanilino)propyl]azanium chloride Traditional Name: dibutyl-[2-hydroxy-3-(N-tosylanilino)propyl]ammonium chloride Formula: C24H37ClN2O3S MolecularWeight: 469.08018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N2O3S.ClH/c1-4-6-17-25(18-7-5-2)19-23(27)20-26(22-11-9-8-10-12-22)30(28,29)24-15-13-21(3)14-16-24;/h8-16,23,27H,4-7,17-20H2,1-3H3;1H