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

Systemtic Name: dibutyl-[3-[(4-nitrophenyl)sulfonyl-phenyl-amino]-2-oxidanyl-propyl]azanium chloride Openeye Name: dibutyl-[2-hydroxy-3-(N-(4-nitrophenyl)sulfonylanilino)propyl]ammonium chloride CAS Name: dibutyl-[2-hydroxy-3-(N-(4-nitrophenyl)sulfonylanilino)propyl]ammonium chloride IUPAC Name: dibutyl-[2-hydroxy-3-(N-(4-nitrophenyl)sulfonylanilino)propyl]azanium chloride Traditional Name: dibutyl-[2-hydroxy-3-(N-nosylanilino)propyl]ammonium chloride Formula: C23H34ClN3O5S MolecularWeight: 500.05116

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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)[N+](=O)[O-])O.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O5S.ClH/c1-3-5-16-24(17-6-4-2)18-22(27)19-25(20-10-8-7-9-11-20)32(30,31)23-14-12-21(13-15-23)26(28)29;/h7-15,22,27H,3-6,16-19H2,1-2H3;1H