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

Systemtic Name: 1-[6-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridin-3-yl]sulfonyl-4-methyl-piperazine Openeye Name: 1-[[6-[2-(4-ethoxyphenoxy)ethylsulfanyl]-3-pyridyl]sulfonyl]-4-methyl-piperazine CAS Name: 1-[[6-[2-(4-ethoxyphenoxy)ethylthio]-3-pyridinyl]sulfonyl]-4-methylpiperazine IUPAC Name: 1-[6-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridin-3-yl]sulfonyl-4-methylpiperazine Traditional Name: 1-[[6-[2-(4-ethoxyphenoxy)ethylthio]-3-pyridyl]sulfonyl]-4-methyl-piperazine Formula: C20H27N3O4S2 MolecularWeight: 437.57608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C20H27N3O4S2/c1-3-26-17-4-6-18(7-5-17)27-14-15-28-20-9-8-19(16-21-20)29(24,25)23-12-10-22(2)11-13-23/h4-9,16H,3,10-15H2,1-2H3