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

Systemtic Name: 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline Openeye Name: 4-[4-(p-tolylsulfonyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline CAS Name: 4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-6-(1H-pyrazol-4-yl)quinazoline IUPAC Name: 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline Traditional Name: 6-(1H-pyrazol-4-yl)-4-(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=NC4=C3C=C(C=C4)C5=CNN=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=NC4=C3C=C(C=C4)C5=CNN=C5

InChI

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