2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(m-tolyl)acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(3-methylphenyl)acetamide Traditional Name: 2-(4-brosyl-1,4-diazepan-1-yl)-N-(m-tolyl)acetamide Formula: C20H24BrN3O3S MolecularWeight: 466.39186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H24BrN3O3S/c1-16-4-2-5-18(14-16)22-20(25)15-23-10-3-11-24(13-12-23)28(26,27)19-8-6-17(21)7-9-19/h2,4-9,14H,3,10-13,15H2,1H3,(H,22,25)