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

Systemtic Name: 1-methyl-4-[6-[2-(4-propoxyphenoxy)ethylsulfanyl]pyridin-3-yl]sulfonyl-piperazine Openeye Name: 1-methyl-4-[[6-[2-(4-propoxyphenoxy)ethylsulfanyl]-3-pyridyl]sulfonyl]piperazine CAS Name: 1-methyl-4-[[6-[2-(4-propoxyphenoxy)ethylthio]-3-pyridinyl]sulfonyl]piperazine IUPAC Name: 1-methyl-4-[6-[2-(4-propoxyphenoxy)ethylsulfanyl]pyridin-3-yl]sulfonylpiperazine Traditional Name: 1-methyl-4-[[6-[2-(4-propoxyphenoxy)ethylthio]-3-pyridyl]sulfonyl]piperazine Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OCCSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)OCCSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C21H29N3O4S2/c1-3-14-27-18-4-6-19(7-5-18)28-15-16-29-21-9-8-20(17-22-21)30(25,26)24-12-10-23(2)11-13-24/h4-9,17H,3,10-16H2,1-2H3