[3-(phenylsulfonylmethyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-(phenylsulfonylmethyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [3-(benzenesulfonylmethyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [3-(benzenesulfonylmethyl)phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [3-(benzenesulfonylmethyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [3-(besylmethyl)phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=CC=C3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=CC=C3)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3S/c27-21(25-12-14-26(15-13-25)22-23-10-5-11-24-22)19-7-4-6-18(16-19)17-30(28,29)20-8-2-1-3-9-20/h1-11,16H,12-15,17H2