1,3-benzothiazol-6-yl-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: 1,3-benzothiazol-6-yl-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: 1,3-benzothiazol-6-yl-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: 1,3-benzothiazol-6-yl-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: 1,3-benzothiazol-6-yl-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: 1,3-benzothiazol-6-yl-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazino]methanone Formula: C19H16F3N3O3S2 MolecularWeight: 455.47385

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(C=C2)N=CS3)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(C=C2)N=CS3)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C19H16F3N3O3S2/c20-19(21,22)14-2-4-15(5-3-14)30(27,28)25-9-7-24(8-10-25)18(26)13-1-6-16-17(11-13)29-12-23-16/h1-6,11-12H,7-10H2