3-[4-chloranyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[4-chloranyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Openeye Name: 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(2-thienylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(2-thienylsulfonyl)piperazino]propan-1-one Formula: C18H20ClF3N4O3S2 MolecularWeight: 496.95461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C(=NN2CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)C(F)(F)F)Cl

Isomeric SMILES

C1CC1C2=C(C(=NN2CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)C(F)(F)F)Cl

InChI

InChI=1S/C18H20ClF3N4O3S2/c19-15-16(12-3-4-12)26(23-17(15)18(20,21)22)6-5-13(27)24-7-9-25(10-8-24)31(28,29)14-2-1-11-30-14/h1-2,11-12H,3-10H2