1-[6-[(2,5-dimethylphenyl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-methyl-piperazine

Systemtic Name: 1-[6-[(2,5-dimethylphenyl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-methyl-piperazine Openeye Name: 1-[[6-[(2,5-dimethylphenyl)methylsulfanyl]-3-pyridyl]sulfonyl]-4-methyl-piperazine CAS Name: 1-[[6-[(2,5-dimethylphenyl)methylthio]-3-pyridinyl]sulfonyl]-4-methylpiperazine IUPAC Name: 1-[6-[(2,5-dimethylphenyl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-methylpiperazine Traditional Name: 1-[[6-[(2,5-dimethylbenzyl)thio]-3-pyridyl]sulfonyl]-4-methyl-piperazine Formula: C19H25N3O2S2 MolecularWeight: 391.5507

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C19H25N3O2S2/c1-15-4-5-16(2)17(12-15)14-25-19-7-6-18(13-20-19)26(23,24)22-10-8-21(3)9-11-22/h4-7,12-13H,8-11,14H2,1-3H3