4-bromanyl-5-ethoxy-1-(4-methylphenyl)sulfonyl-1-benzazepine

Systemtic Name: 4-bromanyl-5-ethoxy-1-(4-methylphenyl)sulfonyl-1-benzazepine Openeye Name: 4-bromo-5-ethoxy-1-(p-tolylsulfonyl)-1-benzazepine CAS Name: 4-bromo-5-ethoxy-1-(4-methylphenyl)sulfonyl-1-benzazepine IUPAC Name: 4-bromo-5-ethoxy-1-(4-methylphenyl)sulfonyl-1-benzazepine Traditional Name: 4-bromo-5-ethoxy-1-tosyl-1-benzazepine Formula: C19H18BrNO3S MolecularWeight: 420.32012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C)Br

Isomeric SMILES

CCOC1=C(C=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C)Br

InChI

InChI=1S/C19H18BrNO3S/c1-3-24-19-16-6-4-5-7-18(16)21(13-12-17(19)20)25(22,23)15-10-8-14(2)9-11-15/h4-13H,3H2,1-2H3