1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-(pyridin-2-ylmethyl)piperazine-2,3-dione

Systemtic Name: 1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-(pyridin-2-ylmethyl)piperazine-2,3-dione Openeye Name: 1-[1-(p-tolylsulfonyl)-4-piperidyl]-4-(2-pyridylmethyl)piperazine-2,3-dione CAS Name: 1-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-4-(2-pyridinylmethyl)piperazine-2,3-dione IUPAC Name: 1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-(pyridin-2-ylmethyl)piperazine-2,3-dione Traditional Name: 1-(2-pyridylmethyl)-4-(1-tosyl-4-piperidyl)piperazine-2,3-quinone Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCN(C(=O)C3=O)CC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCN(C(=O)C3=O)CC4=CC=CC=N4

InChI

InChI=1S/C22H26N4O4S/c1-17-5-7-20(8-6-17)31(29,30)25-12-9-19(10-13-25)26-15-14-24(21(27)22(26)28)16-18-4-2-3-11-23-18/h2-8,11,19H,9-10,12-16H2,1H3