(4-methylsulfonylpiperazin-1-yl)-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methanone

Systemtic Name: (4-methylsulfonylpiperazin-1-yl)-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methanone Openeye Name: [1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone CAS Name: (4-methylsulfonyl-1-piperazinyl)-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methanone IUPAC Name: (1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone Traditional Name: [1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-(4-mesylpiperazino)methanone Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N5O3S/c1-30(28,29)26-12-10-24(11-13-26)21(27)19-16-25(15-17-6-3-2-4-7-17)23-20(19)18-8-5-9-22-14-18/h2-9,14,16H,10-13,15H2,1H3