1-[4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonylphenyl]urea

Systemtic Name: 1-[4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonylphenyl]urea Openeye Name: [4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]phenyl]urea CAS Name: [4-[oxo-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methyl]phenyl]urea IUPAC Name: [4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]phenyl]urea Traditional Name: [4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]phenyl]urea Formula: C19H19F3N4O4S MolecularWeight: 456.43877

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)NC(=O)N)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)NC(=O)N)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H19F3N4O4S/c20-19(21,22)14-2-1-3-16(12-14)31(29,30)26-10-8-25(9-11-26)17(27)13-4-6-15(7-5-13)24-18(23)28/h1-7,12H,8-11H2,(H3,23,24,28)