ethyl 1-(4-methylphenyl)sulfonyl-6-oxidanylidene-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylate

Systemtic Name: ethyl 1-(4-methylphenyl)sulfonyl-6-oxidanylidene-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylate Openeye Name: ethyl 6-oxo-1-(p-tolylsulfonyl)-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-6-oxo-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methylphenyl)sulfonyl-6-oxo-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylate Traditional Name: 6-keto-1-tosyl-2,3,4,5-tetrahydro-1-benzazocine-5-carboxylic acid ethyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C2=CC=CC=C2C1=O)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1CCCN(C2=CC=CC=C2C1=O)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H23NO5S/c1-3-27-21(24)18-8-6-14-22(19-9-5-4-7-17(19)20(18)23)28(25,26)16-12-10-15(2)11-13-16/h4-5,7,9-13,18H,3,6,8,14H2,1-2H3