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

Systemtic Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-(4-brosyl-1,4-diazepan-1-yl)-N-(3,4-dimethoxyphenyl)acetamide Formula: C21H26BrN3O5S MolecularWeight: 512.41724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C21H26BrN3O5S/c1-29-19-9-6-17(14-20(19)30-2)23-21(26)15-24-10-3-11-25(13-12-24)31(27,28)18-7-4-16(22)5-8-18/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,26)