[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(4-propylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(4-propylsulfonylpiperazin-1-yl)methanone Openeye Name: [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(4-propylsulfonylpiperazin-1-yl)methanone CAS Name: [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(4-propylsulfonyl-1-piperazinyl)methanone IUPAC Name: [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(4-propylsulfonylpiperazin-1-yl)methanone Traditional Name: [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(4-propylsulfonylpiperazino)methanone Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=NN2)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCS(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=NN2)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C19H26N4O3S/c1-4-11-27(25,26)23-9-7-22(8-10-23)19(24)18-13-17(20-21-18)16-6-5-14(2)15(3)12-16/h5-6,12-13H,4,7-11H2,1-3H3,(H,20,21)