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

Systemtic Name: dibutyl-[3-[(4-methylphenyl)-(4-nitrophenyl)sulfonyl-amino]-2-oxidanyl-propyl]azanium chloride Openeye Name: dibutyl-[2-hydroxy-3-(4-methyl-N-(4-nitrophenyl)sulfonyl-anilino)propyl]ammonium chloride CAS Name: dibutyl-[2-hydroxy-3-(4-methyl-N-(4-nitrophenyl)sulfonylanilino)propyl]ammonium chloride IUPAC Name: dibutyl-[2-hydroxy-3-(4-methyl-N-(4-nitrophenyl)sulfonylanilino)propyl]azanium chloride Traditional Name: dibutyl-[2-hydroxy-3-(4-methyl-N-nosyl-anilino)propyl]ammonium chloride Formula: C24H36ClN3O5S MolecularWeight: 514.07774

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35N3O5S.ClH/c1-4-6-16-25(17-7-5-2)18-23(28)19-26(21-10-8-20(3)9-11-21)33(31,32)24-14-12-22(13-15-24)27(29)30;/h8-15,23,28H,4-7,16-19H2,1-3H3;1H