(4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(4-morpholinosulfonylphenyl)prop-2-enoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: 3-(4-morpholinosulfonylphenyl)acrylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C26H33NO5S MolecularWeight: 471.60892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C)C(C)(C)C

InChI

InChI=1S/C26H33NO5S/c1-19-16-22(26(3,4)5)17-20(2)24(19)18-32-25(28)11-8-21-6-9-23(10-7-21)33(29,30)27-12-14-31-15-13-27/h6-11,16-17H,12-15,18H2,1-5H3