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

Systemtic Name: [4-(phenylmethyl)sulfonylpiperazin-1-yl]-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methanone CAS Name: [4-(phenylmethyl)sulfonyl-1-piperazinyl]-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]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)C4=CC=CC=C4)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)S(=O)(=O)CC5=CC=CC=C5

InChI

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