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

Systemtic Name: N-[4-[(E)-7-(4-methoxyphenyl)hept-6-enoyl]cyclohexa-1,5-dien-1-yl]-N-methylsulfonyl-methanesulfonamide Openeye Name: N-[4-[(E)-7-(4-methoxyphenyl)hept-6-enoyl]cyclohexa-1,5-dien-1-yl]-N-methylsulfonyl-methanesulfonamide CAS Name: N-[4-[(E)-7-(4-methoxyphenyl)-1-oxohept-6-enyl]-1-cyclohexa-1,5-dienyl]-N-methylsulfonylmethanesulfonamide IUPAC Name: N-[4-[(E)-7-(4-methoxyphenyl)hept-6-enoyl]cyclohexa-1,5-dien-1-yl]-N-methylsulfonylmethanesulfonamide Traditional Name: N-mesyl-N-[4-[(E)-7-(4-methoxyphenyl)hept-6-enoyl]cyclohexa-1,5-dien-1-yl]methanesulfonamide Formula: C22H29NO6S2 MolecularWeight: 467.59876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CCCCCC(=O)C2CC=C(C=C2)N(S(=O)(=O)C)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO6S2/c1-29-21-16-10-18(11-17-21)8-6-4-5-7-9-22(24)19-12-14-20(15-13-19)23(30(2,25)26)31(3,27)28/h6,8,10-12,14-17,19H,4-5,7,9,13H2,1-3H3/b8-6+