[2-oxidanyl-3,5-di(propan-2-yl)phenyl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [2-oxidanyl-3,5-di(propan-2-yl)phenyl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone Openeye Name: (2-hydroxy-3,5-diisopropyl-phenyl)-[4-(3-pyridylsulfonyl)piperazin-1-yl]methanone CAS Name: [2-hydroxy-3,5-di(propan-2-yl)phenyl]-[4-(3-pyridinylsulfonyl)-1-piperazinyl]methanone IUPAC Name: [2-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone Traditional Name: (2-hydroxy-3,5-diisopropyl-phenyl)-[4-(3-pyridylsulfonyl)piperazino]methanone Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4S/c1-15(2)17-12-19(16(3)4)21(26)20(13-17)22(27)24-8-10-25(11-9-24)30(28,29)18-6-5-7-23-14-18/h5-7,12-16,26H,8-11H2,1-4H3