(Z,3S)-3-[methyl-(4-nitrophenyl)sulfonyl-amino]-2-oxidanyl-4-phenyl-but-1-ene-1-diazonium

Systemtic Name: (Z,3S)-3-[methyl-(4-nitrophenyl)sulfonyl-amino]-2-oxidanyl-4-phenyl-but-1-ene-1-diazonium Openeye Name: (Z,3S)-2-hydroxy-3-[methyl-(4-nitrophenyl)sulfonyl-amino]-4-phenyl-but-1-ene-1-diazonium CAS Name: (Z,3S)-2-hydroxy-3-[methyl-(4-nitrophenyl)sulfonylamino]-4-phenyl-1-butene-1-diazonium IUPAC Name: (Z,3S)-2-hydroxy-3-[methyl-(4-nitrophenyl)sulfonylamino]-4-phenylbut-1-ene-1-diazonium Traditional Name: (Z,3S)-2-hydroxy-3-[methyl(nosyl)amino]-4-phenyl-but-1-ene-1-diazonium Formula: C17H17N4O5S+ MolecularWeight: 389.40568

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C(=C[N+]#N)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN([C@@H](CC1=CC=CC=C1)/C(=C/[N+]#N)/O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O5S/c1-20(27(25,26)15-9-7-14(8-10-15)21(23)24)16(17(22)12-19-18)11-13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3/p+1/b17-12-/t16-/m0/s1