N,N-diethyl-3-nitro-4-[(E)-3-phenylprop-2-enyl]sulfanyl-benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[(E)-3-phenylprop-2-enyl]sulfanyl-benzenesulfonamide Openeye Name: 4-[(E)-cinnamyl]sulfanyl-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[[(E)-3-phenylprop-2-enyl]thio]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[(E)-3-phenylprop-2-enyl]sulfanylbenzenesulfonamide Traditional Name: 4-[[(E)-cinnamyl]thio]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SCC=CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC/C=C/C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O4S2/c1-3-20(4-2)27(24,25)17-12-13-19(18(15-17)21(22)23)26-14-8-11-16-9-6-5-7-10-16/h5-13,15H,3-4,14H2,1-2H3/b11-8+