2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-cyanoethyl)-N-methyl-ethanamide

Systemtic Name: 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-cyanoethyl)-N-methyl-ethanamide Openeye Name: 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-cyanoethyl)-N-methyl-acetamide CAS Name: 2-[4-(2-bromophenyl)sulfonyl-1-piperazinyl]-N-(2-cyanoethyl)-N-methylacetamide IUPAC Name: 2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-cyanoethyl)-N-methylacetamide Traditional Name: 2-[4-(2-bromophenyl)sulfonylpiperazino]-N-(2-cyanoethyl)-N-methyl-acetamide Formula: C16H21BrN4O3S MolecularWeight: 429.33194

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2Br

Isomeric SMILES

CN(CCC#N)C(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C16H21BrN4O3S/c1-19(8-4-7-18)16(22)13-20-9-11-21(12-10-20)25(23,24)15-6-3-2-5-14(15)17/h2-3,5-6H,4,8-13H2,1H3