methyl 6-methylidene-1-(4-methylphenyl)sulfonyl-2-oxidanylidene-azepane-4-carboxylate

Systemtic Name: methyl 6-methylidene-1-(4-methylphenyl)sulfonyl-2-oxidanylidene-azepane-4-carboxylate Openeye Name: methyl 6-methylene-2-oxo-1-(p-tolylsulfonyl)azepane-4-carboxylate CAS Name: 6-methylene-1-(4-methylphenyl)sulfonyl-2-oxo-4-azepanecarboxylic acid methyl ester IUPAC Name: methyl 6-methylidene-1-(4-methylphenyl)sulfonyl-2-oxoazepane-4-carboxylate Traditional Name: 2-keto-6-methylene-1-tosyl-azepane-4-carboxylic acid methyl ester Formula: C16H19NO5S MolecularWeight: 337.39076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=C)CC(CC2=O)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=C)CC(CC2=O)C(=O)OC

InChI

InChI=1S/C16H19NO5S/c1-11-4-6-14(7-5-11)23(20,21)17-10-12(2)8-13(9-15(17)18)16(19)22-3/h4-7,13H,2,8-10H2,1,3H3