2-[4-(5-bromanylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-N-(3,5-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(5-bromanylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-[4-[(5-bromo-2-thienyl)sulfonyl]-1,4-diazepan-1-yl]-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1,4-diazepan-1-yl]-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-[4-(5-bromothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[4-[(5-bromo-2-thienyl)sulfonyl]-1,4-diazepan-1-yl]-N-(3,5-dimethylphenyl)acetamide Formula: C19H24BrN3O3S2 MolecularWeight: 486.44616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)C

InChI

InChI=1S/C19H24BrN3O3S2/c1-14-10-15(2)12-16(11-14)21-18(24)13-22-6-3-7-23(9-8-22)28(25,26)19-5-4-17(20)27-19/h4-5,10-12H,3,6-9,13H2,1-2H3,(H,21,24)