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

Systemtic Name: (E)-3-(3,5-dimethyl-4-oxidanyl-phenyl)-1-(4-piperidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-hydroxy-3,5-dimethyl-phenyl)-1-[4-(1-piperidylsulfonyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-(4-hydroxy-3,5-dimethylphenyl)-1-[4-(1-piperidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-hydroxy-3,5-dimethyl-phenyl)-1-(4-piperidinosulfonylphenyl)prop-2-en-1-one Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=CC(=C1O)C)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H25NO4S/c1-16-14-18(15-17(2)22(16)25)6-11-21(24)19-7-9-20(10-8-19)28(26,27)23-12-4-3-5-13-23/h6-11,14-15,25H,3-5,12-13H2,1-2H3/b11-6+