(E)-3-(dimethylamino)-1-[4-nitro-3-(phenylsulfonylmethyl)phenyl]prop-2-en-1-one

Systemtic Name: (E)-3-(dimethylamino)-1-[4-nitro-3-(phenylsulfonylmethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-1-[3-(benzenesulfonylmethyl)-4-nitro-phenyl]-3-(dimethylamino)prop-2-en-1-one CAS Name: (E)-1-[3-(benzenesulfonylmethyl)-4-nitrophenyl]-3-(dimethylamino)-2-propen-1-one IUPAC Name: (E)-1-[3-(benzenesulfonylmethyl)-4-nitrophenyl]-3-(dimethylamino)prop-2-en-1-one Traditional Name: (E)-1-[3-(besylmethyl)-4-nitro-phenyl]-3-(dimethylamino)prop-2-en-1-one Formula: C18H18N2O5S MolecularWeight: 374.41092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=CC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CN(C)/C=C/C(=O)C1=CC(=C(C=C1)[N+](=O)[O-])CS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H18N2O5S/c1-19(2)11-10-18(21)14-8-9-17(20(22)23)15(12-14)13-26(24,25)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3/b11-10+