[5-[(2-methylphenyl)sulfonylmethyl]furan-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [5-[(2-methylphenyl)sulfonylmethyl]furan-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [5-(o-tolylsulfonylmethyl)-2-furyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [5-[(2-methylphenyl)sulfonylmethyl]-2-furanyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [5-[(2-methylphenyl)sulfonylmethyl]furan-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [5-(o-tolylsulfonylmethyl)-2-furyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H22N4O4S/c1-16-5-2-3-6-19(16)30(27,28)15-17-7-8-18(29-17)20(26)24-11-13-25(14-12-24)21-22-9-4-10-23-21/h2-10H,11-15H2,1H3