(Z)-2-diazonio-1-(2,2-dimethyl-4-phenethyl-1,3-oxazolidin-3-yl)-2-(phenylsulfonyl)ethenolate

Systemtic Name: (Z)-2-diazonio-1-(2,2-dimethyl-4-phenethyl-1,3-oxazolidin-3-yl)-2-(phenylsulfonyl)ethenolate Openeye Name: (Z)-2-(benzenesulfonyl)-2-diazonio-1-(2,2-dimethyl-4-phenethyl-oxazolidin-3-yl)ethenolate CAS Name: (Z)-2-(benzenesulfonyl)-2-diazonio-1-(2,2-dimethyl-4-phenethyl-3-oxazolidinyl)ethenolate IUPAC Name: (Z)-2-(benzenesulfonyl)-2-diazonio-1-(2,2-dimethyl-4-phenethyl-1,3-oxazolidin-3-yl)ethenolate Traditional Name: (Z)-2-besyl-2-diazonio-1-(2,2-dimethyl-4-phenethyl-oxazolidin-3-yl)ethenolate Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N(C(CO1)CCC2=CC=CC=C2)C(=C([N+]#N)S(=O)(=O)C3=CC=CC=C3)[O-])C

Isomeric SMILES

CC1(N(C(CO1)CCC2=CC=CC=C2)/C(=C(\[N+]#N)/S(=O)(=O)C3=CC=CC=C3)/[O-])C

InChI

InChI=1S/C21H23N3O4S/c1-21(2)24(17(15-28-21)14-13-16-9-5-3-6-10-16)20(25)19(23-22)29(26,27)18-11-7-4-8-12-18/h3-12,17H,13-15H2,1-2H3/b20-19-