(E)-1-[2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]but-2-en-1-one

Systemtic Name: (E)-1-[2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]but-2-en-1-one Openeye Name: (E)-1-[2-methyl-1-(p-tolylsulfonyl)-3,4-dihydro-2H-pyridin-6-yl]but-2-en-1-one CAS Name: (E)-1-[2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]-2-buten-1-one IUPAC Name: (E)-1-[2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]but-2-en-1-one Traditional Name: (E)-1-(2-methyl-1-tosyl-3,4-dihydro-2H-pyridin-6-yl)but-2-en-1-one Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C1=CCCC(N1S(=O)(=O)C2=CC=C(C=C2)C)C

Isomeric SMILES

C/C=C/C(=O)C1=CCCC(N1S(=O)(=O)C2=CC=C(C=C2)C)C

InChI

InChI=1S/C17H21NO3S/c1-4-6-17(19)16-8-5-7-14(3)18(16)22(20,21)15-11-9-13(2)10-12-15/h4,6,8-12,14H,5,7H2,1-3H3/b6-4+