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

Systemtic Name: 1-methyl-4-[6-(3-phenylpropylsulfanyl)pyridin-3-yl]sulfonyl-piperazine Openeye Name: 1-methyl-4-[[6-(3-phenylpropylsulfanyl)-3-pyridyl]sulfonyl]piperazine CAS Name: 1-methyl-4-[[6-(3-phenylpropylthio)-3-pyridinyl]sulfonyl]piperazine IUPAC Name: 1-methyl-4-[6-(3-phenylpropylsulfanyl)pyridin-3-yl]sulfonylpiperazine Traditional Name: 1-methyl-4-[[6-(3-phenylpropylthio)-3-pyridyl]sulfonyl]piperazine Formula: C19H25N3O2S2 MolecularWeight: 391.5507

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCCC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCCC3=CC=CC=C3

InChI

InChI=1S/C19H25N3O2S2/c1-21-11-13-22(14-12-21)26(23,24)18-9-10-19(20-16-18)25-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,16H,5,8,11-15H2,1H3