2-[4-(1-tert-butyl-5-propan-2-yl-pyrazol-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(1-tert-butyl-5-propan-2-yl-pyrazol-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(1-tert-butyl-5-isopropyl-pyrazole-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(1-tert-butyl-5-propan-2-yl-3-pyrazolyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(1-tert-butyl-5-isopropyl-pyrazole-3-carbonyl)piperazino]sulfonylbenzonitrile Formula: C22H29N5O3S MolecularWeight: 443.56236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NN1C(C)(C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC(C)C1=CC(=NN1C(C)(C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H29N5O3S/c1-16(2)19-14-18(24-27(19)22(3,4)5)21(28)25-10-12-26(13-11-25)31(29,30)20-9-7-6-8-17(20)15-23/h6-9,14,16H,10-13H2,1-5H3