1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-3-methyl-but-2-en-1-one

Systemtic Name: 1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-3-methyl-but-2-en-1-one Openeye Name: 1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-3-methyl-but-2-en-1-one CAS Name: 1-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-3-methyl-2-buten-1-one IUPAC Name: 1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-3-methylbut-2-en-1-one Traditional Name: 1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-3-methyl-but-2-en-1-one Formula: C13H17BrN2O3S2 MolecularWeight: 393.31968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br)C

Isomeric SMILES

CC(=CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br)C

InChI

InChI=1S/C13H17BrN2O3S2/c1-10(2)9-12(17)15-5-7-16(8-6-15)21(18,19)13-4-3-11(14)20-13/h3-4,9H,5-8H2,1-2H3