1-[6-(oxolan-2-ylmethylsulfanyl)pyridin-3-yl]sulfonyl-4-(phenylmethyl)piperazine

Systemtic Name: 1-[6-(oxolan-2-ylmethylsulfanyl)pyridin-3-yl]sulfonyl-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[[6-(tetrahydrofuran-2-ylmethylsulfanyl)-3-pyridyl]sulfonyl]piperazine CAS Name: 1-[[6-(2-oxolanylmethylthio)-3-pyridinyl]sulfonyl]-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-[6-(oxolan-2-ylmethylsulfanyl)pyridin-3-yl]sulfonylpiperazine Traditional Name: 1-benzyl-4-[[6-(tetrahydrofurfurylthio)-3-pyridyl]sulfonyl]piperazine Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(OC1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H27N3O3S2/c25-29(26,20-8-9-21(22-15-20)28-17-19-7-4-14-27-19)24-12-10-23(11-13-24)16-18-5-2-1-3-6-18/h1-3,5-6,8-9,15,19H,4,7,10-14,16-17H2