N-(1,2,3-trimethoxy-10-methylsulfonyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)ethanamide

Systemtic Name: N-(1,2,3-trimethoxy-10-methylsulfonyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)ethanamide Openeye Name: N-(1,2,3-trimethoxy-10-methylsulfonyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide CAS Name: N-(1,2,3-trimethoxy-10-methylsulfonyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide IUPAC Name: N-(1,2,3-trimethoxy-10-methylsulfonyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide Traditional Name: N-(9-keto-10-mesyl-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)S(=O)(=O)C)OC)OC)OC

Isomeric SMILES

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)S(=O)(=O)C)OC)OC)OC

InChI

InChI=1S/C22H25NO7S/c1-12(24)23-16-8-6-13-10-18(28-2)21(29-3)22(30-4)20(13)14-7-9-19(31(5,26)27)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)