1-methylsulfonyl-4-[[4-(phenylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]piperazine

Systemtic Name: 1-methylsulfonyl-4-[[4-(phenylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]piperazine Openeye Name: 1-[[4-benzyl-5-[1-(2-pyridyl)-4-piperidyl]-1,2,4-triazol-3-yl]methyl]-4-methylsulfonyl-piperazine CAS Name: 1-methylsulfonyl-4-[[4-(phenylmethyl)-5-[1-(2-pyridinyl)-4-piperidinyl]-1,2,4-triazol-3-yl]methyl]piperazine IUPAC Name: 1-[[4-benzyl-5-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]-4-methylsulfonylpiperazine Traditional Name: 1-[[4-benzyl-5-[1-(2-pyridyl)-4-piperidyl]-1,2,4-triazol-3-yl]methyl]-4-mesyl-piperazine Formula: C25H33N7O2S MolecularWeight: 495.64022

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=NN=C(N2CC3=CC=CC=C3)C4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=NN=C(N2CC3=CC=CC=C3)C4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C25H33N7O2S/c1-35(33,34)31-17-15-29(16-18-31)20-24-27-28-25(32(24)19-21-7-3-2-4-8-21)22-10-13-30(14-11-22)23-9-5-6-12-26-23/h2-9,12,22H,10-11,13-20H2,1H3