2-[4-(5-bromanylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-N-(2-ethyl-6-methyl-phenyl)ethanamide

Systemtic Name: 2-[4-(5-bromanylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-N-(2-ethyl-6-methyl-phenyl)ethanamide Openeye Name: 2-[4-[(5-bromo-2-thienyl)sulfonyl]-1,4-diazepan-1-yl]-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: 2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1,4-diazepan-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Name: 2-[4-(5-bromothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-[4-[(5-bromo-2-thienyl)sulfonyl]-1,4-diazepan-1-yl]-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C20H26BrN3O3S2 MolecularWeight: 500.47274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)C

InChI

InChI=1S/C20H26BrN3O3S2/c1-3-16-7-4-6-15(2)20(16)22-18(25)14-23-10-5-11-24(13-12-23)29(26,27)19-9-8-17(21)28-19/h4,6-9H,3,5,10-14H2,1-2H3,(H,22,25)