[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone

Systemtic Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone Openeye Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone CAS Name: [4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone IUPAC Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone Traditional Name: [4-(4-tert-butylphenyl)sulfonylpiperazino]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NNC(=C3)C4CC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NNC(=C3)C4CC4

InChI

InChI=1S/C21H28N4O3S/c1-21(2,3)16-6-8-17(9-7-16)29(27,28)25-12-10-24(11-13-25)20(26)19-14-18(22-23-19)15-4-5-15/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,22,23)