1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyrazin-2-yl-propan-1-one

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyrazin-2-yl-propan-1-one Openeye Name: 1-[4-(p-tolylsulfonyl)piperazin-1-yl]-3-pyrazin-2-yl-propan-1-one CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-(2-pyrazinyl)-1-propanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyrazin-2-ylpropan-1-one Traditional Name: 3-pyrazin-2-yl-1-(4-tosylpiperazino)propan-1-one Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=NC=CN=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=NC=CN=C3

InChI

InChI=1S/C18H22N4O3S/c1-15-2-5-17(6-3-15)26(24,25)22-12-10-21(11-13-22)18(23)7-4-16-14-19-8-9-20-16/h2-3,5-6,8-9,14H,4,7,10-13H2,1H3