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

Systemtic Name: (1-tert-butyl-5-propan-2-yl-pyrazol-3-yl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(1-tert-butyl-5-isopropyl-pyrazol-3-yl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(1-tert-butyl-5-propan-2-yl-3-pyrazolyl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)methanone Traditional Name: (4-besylpiperazino)-(1-tert-butyl-5-isopropyl-pyrazol-3-yl)methanone Formula: C21H30N4O3S MolecularWeight: 418.5529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NN1C(C)(C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC(=NN1C(C)(C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H30N4O3S/c1-16(2)19-15-18(22-25(19)21(3,4)5)20(26)23-11-13-24(14-12-23)29(27,28)17-9-7-6-8-10-17/h6-10,15-16H,11-14H2,1-5H3