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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN3O3S2/c1-14-3-5-15(6-4-14)20-17(23)13-21-9-2-10-22(12-11-21)27(24,25)18-8-7-16(19)26-18/h3-8H,2,9-13H2,1H3,(H,20,23)