(E)-3-(4-methylphenyl)sulfonyl-4-(pyridin-2-ylamino)but-3-en-2-one

Systemtic Name: (E)-3-(4-methylphenyl)sulfonyl-4-(pyridin-2-ylamino)but-3-en-2-one Openeye Name: (E)-3-(p-tolylsulfonyl)-4-(2-pyridylamino)but-3-en-2-one CAS Name: (E)-3-(4-methylphenyl)sulfonyl-4-(2-pyridinylamino)-3-buten-2-one IUPAC Name: (E)-3-(4-methylphenyl)sulfonyl-4-(pyridin-2-ylamino)but-3-en-2-one Traditional Name: (E)-4-(2-pyridylamino)-3-tosyl-but-3-en-2-one Formula: C16H16N2O3S MolecularWeight: 316.37484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CNC2=CC=CC=N2)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/NC2=CC=CC=N2)/C(=O)C

InChI

InChI=1S/C16H16N2O3S/c1-12-6-8-14(9-7-12)22(20,21)15(13(2)19)11-18-16-5-3-4-10-17-16/h3-11H,1-2H3,(H,17,18)/b15-11+