methyl 7-bromanyl-1-[4-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate

Systemtic Name: methyl 7-bromanyl-1-[4-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 7-bromo-1-[4-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 7-bromo-1-[4-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 7-bromo-1-[4-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 7-bromo-1-[4-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C20H21BrN2O4S MolecularWeight: 465.36074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O4S/c1-22(2)28(25,26)18-7-5-17(6-8-18)23-11-10-14(20(24)27-3)12-15-13-16(21)4-9-19(15)23/h4-9,12-13H,10-11H2,1-3H3