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

Systemtic Name: dibutyl-[(2R)-3-[(4-nitrophenyl)sulfonyl-phenyl-amino]-2-oxidanyl-propyl]azanium Openeye Name: dibutyl-[(2R)-2-hydroxy-3-(N-(4-nitrophenyl)sulfonylanilino)propyl]ammonium CAS Name: dibutyl-[(2R)-2-hydroxy-3-(N-(4-nitrophenyl)sulfonylanilino)propyl]ammonium IUPAC Name: dibutyl-[(2R)-2-hydroxy-3-(N-(4-nitrophenyl)sulfonylanilino)propyl]azanium Traditional Name: dibutyl-[(2R)-2-hydroxy-3-(N-nosylanilino)propyl]ammonium Formula: C23H34N3O5S+ MolecularWeight: 464.59816

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O5S/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/p+1/t22-/m1/s1