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

Systemtic Name: methyl 7-bromanyl-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H18BrNO4S MolecularWeight: 436.31952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=CC3=C2C=CC(=C3)Br)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=CC3=C2C=CC(=C3)Br)C(=O)OC

InChI

InChI=1S/C19H18BrNO4S/c1-13-3-6-17(7-4-13)26(23,24)21-10-9-14(19(22)25-2)11-15-12-16(20)5-8-18(15)21/h3-8,11-12H,9-10H2,1-2H3