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

Systemtic Name: 1-[6-[3-(3,5-dimethylphenoxy)propylsulfanyl]pyridin-3-yl]sulfonyl-4-methyl-piperazine Openeye Name: 1-[[6-[3-(3,5-dimethylphenoxy)propylsulfanyl]-3-pyridyl]sulfonyl]-4-methyl-piperazine CAS Name: 1-[[6-[3-(3,5-dimethylphenoxy)propylthio]-3-pyridinyl]sulfonyl]-4-methylpiperazine IUPAC Name: 1-[6-[3-(3,5-dimethylphenoxy)propylsulfanyl]pyridin-3-yl]sulfonyl-4-methylpiperazine Traditional Name: 1-[[6-[3-(3,5-dimethylphenoxy)propylthio]-3-pyridyl]sulfonyl]-4-methyl-piperazine Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S2/c1-17-13-18(2)15-19(14-17)27-11-4-12-28-21-6-5-20(16-22-21)29(25,26)24-9-7-23(3)8-10-24/h5-6,13-16H,4,7-12H2,1-3H3