4-bromanyl-5,7-dimethoxy-1-(4-methylphenyl)sulfonyl-1-benzazepine

Systemtic Name: 4-bromanyl-5,7-dimethoxy-1-(4-methylphenyl)sulfonyl-1-benzazepine Openeye Name: 4-bromo-5,7-dimethoxy-1-(p-tolylsulfonyl)-1-benzazepine CAS Name: 4-bromo-5,7-dimethoxy-1-(4-methylphenyl)sulfonyl-1-benzazepine IUPAC Name: 4-bromo-5,7-dimethoxy-1-(4-methylphenyl)sulfonyl-1-benzazepine Traditional Name: 4-bromo-5,7-dimethoxy-1-tosyl-1-benzazepine Formula: C19H18BrNO4S MolecularWeight: 436.31952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C(C3=C2C=CC(=C3)OC)OC)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C(C3=C2C=CC(=C3)OC)OC)Br

InChI

InChI=1S/C19H18BrNO4S/c1-13-4-7-15(8-5-13)26(22,23)21-11-10-17(20)19(25-3)16-12-14(24-2)6-9-18(16)21/h4-12H,1-3H3