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

Systemtic Name: (E)-3-(3,5-dimethyl-4-oxidanyl-phenyl)-1-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-hydroxy-3,5-dimethyl-phenyl)-1-(4-morpholinosulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-(4-hydroxy-3,5-dimethylphenyl)-1-[4-(4-morpholinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-hydroxy-3,5-dimethyl-phenyl)-1-(4-morpholinosulfonylphenyl)prop-2-en-1-one Formula: C21H23NO5S MolecularWeight: 401.47602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=CC(=C1O)C)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H23NO5S/c1-15-13-17(14-16(2)21(15)24)3-8-20(23)18-4-6-19(7-5-18)28(25,26)22-9-11-27-12-10-22/h3-8,13-14,24H,9-12H2,1-2H3/b8-3+