(Z)-4-diazonio-5-oxidanylidene-1-(4-piperidin-1-ylsulfonylphenyl)hex-3-en-3-olate

Systemtic Name: (Z)-4-diazonio-5-oxidanylidene-1-(4-piperidin-1-ylsulfonylphenyl)hex-3-en-3-olate Openeye Name: (Z)-4-diazonio-5-oxo-1-[4-(1-piperidylsulfonyl)phenyl]hex-3-en-3-olate CAS Name: (Z)-4-diazonio-5-oxo-1-[4-(1-piperidinylsulfonyl)phenyl]-3-hexen-3-olate IUPAC Name: (Z)-4-diazonio-5-oxo-1-(4-piperidin-1-ylsulfonylphenyl)hex-3-en-3-olate Traditional Name: (Z)-4-diazonio-5-keto-1-(4-piperidinosulfonylphenyl)hex-3-en-3-olate Formula: C17H21N3O4S MolecularWeight: 363.43134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)[O-])[N+]#N

Isomeric SMILES

CC(=O)/C(=C(\CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)/[O-])/[N+]#N

InChI

InChI=1S/C17H21N3O4S/c1-13(21)17(19-18)16(22)10-7-14-5-8-15(9-6-14)25(23,24)20-11-3-2-4-12-20/h5-6,8-9H,2-4,7,10-12H2,1H3