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

Systemtic Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-methoxyphenyl)ethanamide Openeye Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-methoxyphenyl)acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-methoxyphenyl)acetamide IUPAC Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-methoxyphenyl)acetamide Traditional Name: 2-(4-brosyl-1,4-diazepan-1-yl)-N-(2-methoxyphenyl)acetamide Formula: C20H24BrN3O4S MolecularWeight: 482.39126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H24BrN3O4S/c1-28-19-6-3-2-5-18(19)22-20(25)15-23-11-4-12-24(14-13-23)29(26,27)17-9-7-16(21)8-10-17/h2-3,5-10H,4,11-15H2,1H3,(H,22,25)