ethyl 6-bromanyl-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-azepane-4-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-azepane-4-carboxylate Openeye Name: ethyl 6-bromo-5-oxo-1-(p-tolylsulfonyl)azepane-4-carboxylate CAS Name: 6-bromo-1-(4-methylphenyl)sulfonyl-5-oxo-4-azepanecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-(4-methylphenyl)sulfonyl-5-oxoazepane-4-carboxylate Traditional Name: 6-bromo-5-keto-1-tosyl-azepane-4-carboxylic acid ethyl ester Formula: C16H20BrNO5S MolecularWeight: 418.3027

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC(C1=O)Br)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1CCN(CC(C1=O)Br)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H20BrNO5S/c1-3-23-16(20)13-8-9-18(10-14(17)15(13)19)24(21,22)12-6-4-11(2)5-7-12/h4-7,13-14H,3,8-10H2,1-2H3