(2,6-dimethylphenyl) (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate

Systemtic Name: (2,6-dimethylphenyl) (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Openeye Name: (2,6-dimethylphenyl) (E)-3-(4-morpholinosulfonylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-morpholinosulfonylphenyl)acrylic acid (2,6-dimethylphenyl) ester Formula: C21H23NO5S MolecularWeight: 401.47602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H23NO5S/c1-16-4-3-5-17(2)21(16)27-20(23)11-8-18-6-9-19(10-7-18)28(24,25)22-12-14-26-15-13-22/h3-11H,12-15H2,1-2H3/b11-8+