(2-tert-butyl-5-cyclopropyl-pyrazol-3-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-tert-butyl-5-cyclopropyl-pyrazol-3-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2-tert-butyl-5-cyclopropyl-pyrazol-3-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (2-tert-butyl-5-cyclopropyl-3-pyrazolyl)-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-tert-butyl-5-cyclopropylpyrazol-3-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (2-tert-butyl-5-cyclopropyl-pyrazol-3-yl)-[4-(3-fluorophenyl)sulfonylpiperazino]methanone Formula: C21H27FN4O3S MolecularWeight: 434.527483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=CC(=N1)C2CC2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

CC(C)(C)N1C(=CC(=N1)C2CC2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C21H27FN4O3S/c1-21(2,3)26-19(14-18(23-26)15-7-8-15)20(27)24-9-11-25(12-10-24)30(28,29)17-6-4-5-16(22)13-17/h4-6,13-15H,7-12H2,1-3H3