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

Systemtic Name: 1-[4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-3-methyl-but-2-en-1-one Openeye Name: 1-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-3-methyl-but-2-en-1-one CAS Name: 1-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-3-methyl-2-buten-1-one IUPAC Name: 1-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-3-methylbut-2-en-1-one Traditional Name: 1-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazino]-3-methyl-but-2-en-1-one Formula: C16H18ClF3N2O3S MolecularWeight: 410.83893

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl)C

Isomeric SMILES

CC(=CC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl)C

InChI

InChI=1S/C16H18ClF3N2O3S/c1-11(2)9-15(23)21-5-7-22(8-6-21)26(24,25)14-10-12(16(18,19)20)3-4-13(14)17/h3-4,9-10H,5-8H2,1-2H3