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

Systemtic Name: 1-[6-[2-(3,5-dimethylphenoxy)ethylsulfanyl]pyridin-3-yl]sulfonyl-4-methyl-piperazine Openeye Name: 1-[[6-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-3-pyridyl]sulfonyl]-4-methyl-piperazine CAS Name: 1-[[6-[2-(3,5-dimethylphenoxy)ethylthio]-3-pyridinyl]sulfonyl]-4-methylpiperazine IUPAC Name: 1-[6-[2-(3,5-dimethylphenoxy)ethylsulfanyl]pyridin-3-yl]sulfonyl-4-methylpiperazine Traditional Name: 1-[[6-[2-(3,5-dimethylphenoxy)ethylthio]-3-pyridyl]sulfonyl]-4-methyl-piperazine Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C)C

InChI

InChI=1S/C20H27N3O3S2/c1-16-12-17(2)14-18(13-16)26-10-11-27-20-5-4-19(15-21-20)28(24,25)23-8-6-22(3)7-9-23/h4-5,12-15H,6-11H2,1-3H3