2-(4-methoxyphenyl)sulfonyl-5-methyl-2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]hex-4-enoic acid

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-5-methyl-2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]hex-4-enoic acid Openeye Name: 2-(4-methoxyphenyl)sulfonyl-5-methyl-2-[[4-(2-morpholinoethoxy)phenyl]methyl]hex-4-enoic acid CAS Name: 2-(4-methoxyphenyl)sulfonyl-5-methyl-2-[[4-[2-(4-morpholinyl)ethoxy]phenyl]methyl]-4-hexenoic acid IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-5-methyl-2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]hex-4-enoic acid Traditional Name: 2-(4-methoxyphenyl)sulfonyl-5-methyl-2-[4-(2-morpholinoethoxy)benzyl]hex-4-enoic acid Formula: C27H35NO7S MolecularWeight: 517.6343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(CC1=CC=C(C=C1)OCCN2CCOCC2)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC(=CCC(CC1=CC=C(C=C1)OCCN2CCOCC2)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C27H35NO7S/c1-21(2)12-13-27(26(29)30,36(31,32)25-10-8-23(33-3)9-11-25)20-22-4-6-24(7-5-22)35-19-16-28-14-17-34-18-15-28/h4-12H,13-20H2,1-3H3,(H,29,30)