N-[4-[(E)-7-(4-methoxyphenyl)hept-6-enoyl]cyclohexa-1,5-dien-1-yl]methanesulfonamide

Systemtic Name: N-[4-[(E)-7-(4-methoxyphenyl)hept-6-enoyl]cyclohexa-1,5-dien-1-yl]methanesulfonamide Openeye Name: N-[4-[(E)-7-(4-methoxyphenyl)hept-6-enoyl]cyclohexa-1,5-dien-1-yl]methanesulfonamide CAS Name: N-[4-[(E)-7-(4-methoxyphenyl)-1-oxohept-6-enyl]-1-cyclohexa-1,5-dienyl]methanesulfonamide IUPAC Name: N-[4-[(E)-7-(4-methoxyphenyl)hept-6-enoyl]cyclohexa-1,5-dien-1-yl]methanesulfonamide Traditional Name: N-[4-[(E)-7-(4-methoxyphenyl)hept-6-enoyl]cyclohexa-1,5-dien-1-yl]methanesulfonamide Formula: C21H27NO4S MolecularWeight: 389.50838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CCCCCC(=O)C2CC=C(C=C2)NS(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/CCCCC(=O)C2CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C21H27NO4S/c1-26-20-15-9-17(10-16-20)7-5-3-4-6-8-21(23)18-11-13-19(14-12-18)22-27(2,24)25/h5,7,9-11,13-16,18,22H,3-4,6,8,12H2,1-2H3/b7-5+