2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline Openeye Name: 2-[4-(p-tolylsulfonyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-6-(1H-pyrazol-4-yl)quinazoline IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline Traditional Name: 6-(1H-pyrazol-4-yl)-2-(4-tosylpiperazino)quinazoline Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C4C=C(C=CC4=N3)C5=CNN=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C4C=C(C=CC4=N3)C5=CNN=C5

InChI

InChI=1S/C22H22N6O2S/c1-16-2-5-20(6-3-16)31(29,30)28-10-8-27(9-11-28)22-23-13-18-12-17(4-7-21(18)26-22)19-14-24-25-15-19/h2-7,12-15H,8-11H2,1H3,(H,24,25)