(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)-1-(4-piperidin-1-ylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)-1-(4-piperidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)-1-[4-(1-piperidylsulfonyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-[4-(1-piperidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)-1-(4-piperidinosulfonylphenyl)prop-2-en-1-one Formula: C22H24ClNO5S MolecularWeight: 449.94766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Cl)OC

InChI

InChI=1S/C22H24ClNO5S/c1-28-21-15-16(14-19(23)22(21)29-2)6-11-20(25)17-7-9-18(10-8-17)30(26,27)24-12-4-3-5-13-24/h6-11,14-15H,3-5,12-13H2,1-2H3/b11-6+