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

Systemtic Name: 1-methyl-4-[6-(3-phenoxypropylsulfanyl)pyridin-3-yl]sulfonyl-piperazine Openeye Name: 1-methyl-4-[[6-(3-phenoxypropylsulfanyl)-3-pyridyl]sulfonyl]piperazine CAS Name: 1-methyl-4-[[6-(3-phenoxypropylthio)-3-pyridinyl]sulfonyl]piperazine IUPAC Name: 1-methyl-4-[6-(3-phenoxypropylsulfanyl)pyridin-3-yl]sulfonylpiperazine Traditional Name: 1-methyl-4-[[6-(3-phenoxypropylthio)-3-pyridyl]sulfonyl]piperazine Formula: C19H25N3O3S2 MolecularWeight: 407.5501

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCCOC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCCOC3=CC=CC=C3

InChI

InChI=1S/C19H25N3O3S2/c1-21-10-12-22(13-11-21)27(23,24)18-8-9-19(20-16-18)26-15-5-14-25-17-6-3-2-4-7-17/h2-4,6-9,16H,5,10-15H2,1H3