(E)-1-(6-chloranylpyridin-3-yl)-5-(4-methylphenyl)sulfonyl-pent-1-en-3-one

Systemtic Name: (E)-1-(6-chloranylpyridin-3-yl)-5-(4-methylphenyl)sulfonyl-pent-1-en-3-one Openeye Name: (E)-1-(6-chloro-3-pyridyl)-5-(p-tolylsulfonyl)pent-1-en-3-one CAS Name: (E)-1-(6-chloro-3-pyridinyl)-5-(4-methylphenyl)sulfonyl-1-penten-3-one IUPAC Name: (E)-1-(6-chloropyridin-3-yl)-5-(4-methylphenyl)sulfonylpent-1-en-3-one Traditional Name: (E)-1-(6-chloro-3-pyridyl)-5-tosyl-pent-1-en-3-one Formula: C17H16ClNO3S MolecularWeight: 349.83184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)C=CC2=CN=C(C=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)/C=C/C2=CN=C(C=C2)Cl

InChI

InChI=1S/C17H16ClNO3S/c1-13-2-7-16(8-3-13)23(21,22)11-10-15(20)6-4-14-5-9-17(18)19-12-14/h2-9,12H,10-11H2,1H3/b6-4+