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

Systemtic Name: [1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methanone Traditional Name: [1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-(4-besylpiperazino)methanone Formula: C26H25N5O3S MolecularWeight: 487.5734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H25N5O3S/c32-26(29-14-16-31(17-15-29)35(33,34)23-11-5-2-6-12-23)24-20-30(19-21-8-3-1-4-9-21)28-25(24)22-10-7-13-27-18-22/h1-13,18,20H,14-17,19H2