1-methyl-4-[6-(2-phenoxyethylsulfanyl)pyridin-3-yl]sulfonyl-piperazine

Systemtic Name: 1-methyl-4-[6-(2-phenoxyethylsulfanyl)pyridin-3-yl]sulfonyl-piperazine Openeye Name: 1-methyl-4-[[6-(2-phenoxyethylsulfanyl)-3-pyridyl]sulfonyl]piperazine CAS Name: 1-methyl-4-[[6-(2-phenoxyethylthio)-3-pyridinyl]sulfonyl]piperazine IUPAC Name: 1-methyl-4-[6-(2-phenoxyethylsulfanyl)pyridin-3-yl]sulfonylpiperazine Traditional Name: 1-methyl-4-[[6-(2-phenoxyethylthio)-3-pyridyl]sulfonyl]piperazine Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCOC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCOC3=CC=CC=C3

InChI

InChI=1S/C18H23N3O3S2/c1-20-9-11-21(12-10-20)26(22,23)17-7-8-18(19-15-17)25-14-13-24-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3