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

Systemtic Name: 1-methyl-4-[6-[3-(3-methylphenoxy)propylsulfanyl]pyridin-3-yl]sulfonyl-piperazine Openeye Name: 1-methyl-4-[[6-[3-(3-methylphenoxy)propylsulfanyl]-3-pyridyl]sulfonyl]piperazine CAS Name: 1-methyl-4-[[6-[3-(3-methylphenoxy)propylthio]-3-pyridinyl]sulfonyl]piperazine IUPAC Name: 1-methyl-4-[6-[3-(3-methylphenoxy)propylsulfanyl]pyridin-3-yl]sulfonylpiperazine Traditional Name: 1-methyl-4-[[6-[3-(3-methylphenoxy)propylthio]-3-pyridyl]sulfonyl]piperazine Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCCSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C20H27N3O3S2/c1-17-5-3-6-18(15-17)26-13-4-14-27-20-8-7-19(16-21-20)28(24,25)23-11-9-22(2)10-12-23/h3,5-8,15-16H,4,9-14H2,1-2H3