1,3-dimethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-quinazoline-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-quinazoline-2,4-dione Openeye Name: 1,3-dimethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-quinazoline-2,4-dione CAS Name: 1,3-dimethyl-6-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]quinazoline-2,4-dione IUPAC Name: 1,3-dimethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylquinazoline-2,4-dione Traditional Name: 1,3-dimethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazino]sulfonyl-quinazoline-2,4-quinone Formula: C21H21F3N4O4S MolecularWeight: 482.47605

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C(=O)N(C1=O)C

InChI

InChI=1S/C21H21F3N4O4S/c1-25-18-7-6-16(13-17(18)19(29)26(2)20(25)30)33(31,32)28-10-8-27(9-11-28)15-5-3-4-14(12-15)21(22,23)24/h3-7,12-13H,8-11H2,1-2H3