N-[6-[(E)-6-(4-methoxyphenyl)hex-5-enyl]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-N-methylsulfonyl-methanesulfonamide

Systemtic Name: N-[6-[(E)-6-(4-methoxyphenyl)hex-5-enyl]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-N-methylsulfonyl-methanesulfonamide Openeye Name: N-[6-[(E)-6-(4-methoxyphenyl)hex-5-enyl]-3-oxo-cyclohexa-1,5-dien-1-yl]-N-methylsulfonyl-methanesulfonamide CAS Name: N-[6-[(E)-6-(4-methoxyphenyl)hex-5-enyl]-3-oxo-1-cyclohexa-1,5-dienyl]-N-methylsulfonylmethanesulfonamide IUPAC Name: N-[6-[(E)-6-(4-methoxyphenyl)hex-5-enyl]-3-oxocyclohexa-1,5-dien-1-yl]-N-methylsulfonylmethanesulfonamide Traditional Name: N-[3-keto-6-[(E)-6-(4-methoxyphenyl)hex-5-enyl]cyclohexa-1,5-dien-1-yl]-N-mesyl-methanesulfonamide Formula: C21H27NO6S2 MolecularWeight: 453.57218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CCCCCC2=CCC(=O)C=C2N(S(=O)(=O)C)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/CCCCC2=CCC(=O)C=C2N(S(=O)(=O)C)S(=O)(=O)C

InChI

InChI=1S/C21H27NO6S2/c1-28-20-14-10-17(11-15-20)8-6-4-5-7-9-18-12-13-19(23)16-21(18)22(29(2,24)25)30(3,26)27/h6,8,10-12,14-16H,4-5,7,9,13H2,1-3H3/b8-6+