4-bromanyl-7,8-dimethoxy-3-(4-methylphenyl)sulfonyl-2,4-dihydro-1H-3-benzazepin-5-one

Systemtic Name: 4-bromanyl-7,8-dimethoxy-3-(4-methylphenyl)sulfonyl-2,4-dihydro-1H-3-benzazepin-5-one Openeye Name: 4-bromo-7,8-dimethoxy-3-(p-tolylsulfonyl)-2,4-dihydro-1H-3-benzazepin-5-one CAS Name: 4-bromo-7,8-dimethoxy-3-(4-methylphenyl)sulfonyl-2,4-dihydro-1H-3-benzazepin-5-one IUPAC Name: 4-bromo-7,8-dimethoxy-3-(4-methylphenyl)sulfonyl-2,4-dihydro-1H-3-benzazepin-5-one Traditional Name: 4-bromo-7,8-dimethoxy-3-tosyl-2,4-dihydro-1H-3-benzazepin-5-one Formula: C19H20BrNO5S MolecularWeight: 454.3348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C(=O)C2Br)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C(=O)C2Br)OC)OC

InChI

InChI=1S/C19H20BrNO5S/c1-12-4-6-14(7-5-12)27(23,24)21-9-8-13-10-16(25-2)17(26-3)11-15(13)18(22)19(21)20/h4-7,10-11,19H,8-9H2,1-3H3