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

Systemtic Name: 2-[4-(5-bromanylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[4-[(5-bromo-2-thienyl)sulfonyl]-1,4-diazepan-1-yl]-N-(m-tolyl)acetamide CAS Name: 2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1,4-diazepan-1-yl]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[4-(5-bromothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[4-[(5-bromo-2-thienyl)sulfonyl]-1,4-diazepan-1-yl]-N-(m-tolyl)acetamide Formula: C18H22BrN3O3S2 MolecularWeight: 472.41958

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN3O3S2/c1-14-4-2-5-15(12-14)20-17(23)13-21-8-3-9-22(11-10-21)27(24,25)18-7-6-16(19)26-18/h2,4-7,12H,3,8-11,13H2,1H3,(H,20,23)