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

Systemtic Name: diethyl-[3-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)amino]-2-oxidanyl-propyl]azanium chloride Openeye Name: diethyl-[2-hydroxy-3-[3-nitro-N-(p-tolylsulfonyl)anilino]propyl]ammonium chloride CAS Name: diethyl-[2-hydroxy-3-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)propyl]ammonium chloride IUPAC Name: diethyl-[2-hydroxy-3-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)propyl]azanium chloride Traditional Name: diethyl-[2-hydroxy-3-(3-nitro-N-tosyl-anilino)propyl]ammonium chloride Formula: C20H28ClN3O5S MolecularWeight: 457.97142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5S.ClH/c1-4-21(5-2)14-19(24)15-22(17-7-6-8-18(13-17)23(25)26)29(27,28)20-11-9-16(3)10-12-20;/h6-13,19,24H,4-5,14-15H2,1-3H3;1H