ethyl 8-chloranyl-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-3,4-dihydro-2H-1-benzazepine-4-carboxylate

Systemtic Name: ethyl 8-chloranyl-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-3,4-dihydro-2H-1-benzazepine-4-carboxylate Openeye Name: ethyl 8-chloro-5-oxo-1-(p-tolylsulfonyl)-3,4-dihydro-2H-1-benzazepine-4-carboxylate CAS Name: 8-chloro-1-(4-methylphenyl)sulfonyl-5-oxo-3,4-dihydro-2H-1-benzazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 8-chloro-1-(4-methylphenyl)sulfonyl-5-oxo-3,4-dihydro-2H-1-benzazepine-4-carboxylate Traditional Name: 8-chloro-5-keto-1-tosyl-3,4-dihydro-2H-1-benzazepine-4-carboxylic acid ethyl ester Formula: C20H20ClNO5S MolecularWeight: 421.8945

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(C2=C(C1=O)C=CC(=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1CCN(C2=C(C1=O)C=CC(=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H20ClNO5S/c1-3-27-20(24)17-10-11-22(18-12-14(21)6-9-16(18)19(17)23)28(25,26)15-7-4-13(2)5-8-15/h4-9,12,17H,3,10-11H2,1-2H3