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

Systemtic Name: ethyl 4-bromanyl-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: ethyl 4-bromo-5-oxo-1-(p-tolylsulfonyl)-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 4-bromo-1-(4-methylphenyl)sulfonyl-5-oxo-2,3-dihydro-1-benzazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-1-(4-methylphenyl)sulfonyl-5-oxo-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 4-bromo-5-keto-1-tosyl-2,3-dihydro-1-benzazepine-4-carboxylic acid ethyl ester Formula: C20H20BrNO5S MolecularWeight: 466.3455

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(C2=CC=CC=C2C1=O)S(=O)(=O)C3=CC=C(C=C3)C)Br

Isomeric SMILES

CCOC(=O)C1(CCN(C2=CC=CC=C2C1=O)S(=O)(=O)C3=CC=C(C=C3)C)Br

InChI

InChI=1S/C20H20BrNO5S/c1-3-27-19(24)20(21)12-13-22(17-7-5-4-6-16(17)18(20)23)28(25,26)15-10-8-14(2)9-11-15/h4-11H,3,12-13H2,1-2H3