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

Systemtic Name: (2-tert-butyl-5-cyclopropyl-pyrazol-3-yl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(2-tert-butyl-5-cyclopropyl-pyrazol-3-yl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(2-tert-butyl-5-cyclopropyl-3-pyrazolyl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(2-tert-butyl-5-cyclopropylpyrazol-3-yl)methanone Traditional Name: (4-besylpiperazino)-(2-tert-butyl-5-cyclopropyl-pyrazol-3-yl)methanone Formula: C21H28N4O3S MolecularWeight: 416.53702

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3S/c1-21(2,3)25-19(15-18(22-25)16-9-10-16)20(26)23-11-13-24(14-12-23)29(27,28)17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3