ethyl 7-bromanyl-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine-4-carboxylate

Systemtic Name: ethyl 7-bromanyl-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: ethyl 7-bromo-1-(p-tolylsulfonyl)-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 7-bromo-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 7-bromo-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 7-bromo-1-tosyl-2,3-dihydro-1-benzazepine-4-carboxylic acid ethyl ester Formula: C20H20BrNO4S MolecularWeight: 450.3461

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=CC(=C2)Br)N(CC1)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=CC(=C2)Br)N(CC1)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H20BrNO4S/c1-3-26-20(23)15-10-11-22(19-9-6-17(21)13-16(19)12-15)27(24,25)18-7-4-14(2)5-8-18/h4-9,12-13H,3,10-11H2,1-2H3