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

Systemtic Name: dibutyl-[3-[(4-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl]azanium chloride Openeye Name: dibutyl-[2-hydroxy-3-[4-methoxy-N-(p-tolylsulfonyl)anilino]propyl]ammonium chloride CAS Name: dibutyl-[2-hydroxy-3-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propyl]ammonium chloride IUPAC Name: dibutyl-[2-hydroxy-3-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propyl]azanium chloride Traditional Name: dibutyl-[2-hydroxy-3-(4-methoxy-N-tosyl-anilino)propyl]ammonium chloride Formula: C25H39ClN2O4S MolecularWeight: 499.10616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N2O4S.ClH/c1-5-7-17-26(18-8-6-2)19-23(28)20-27(22-11-13-24(31-4)14-12-22)32(29,30)25-15-9-21(3)10-16-25;/h9-16,23,28H,5-8,17-20H2,1-4H3;1H