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

Systemtic Name: 1-methyl-4-[6-[2-(2-methylphenoxy)ethylsulfanyl]pyridin-3-yl]sulfonyl-piperazine Openeye Name: 1-methyl-4-[[6-[2-(2-methylphenoxy)ethylsulfanyl]-3-pyridyl]sulfonyl]piperazine CAS Name: 1-methyl-4-[[6-[2-(2-methylphenoxy)ethylthio]-3-pyridinyl]sulfonyl]piperazine IUPAC Name: 1-methyl-4-[6-[2-(2-methylphenoxy)ethylsulfanyl]pyridin-3-yl]sulfonylpiperazine Traditional Name: 1-methyl-4-[[6-[2-(2-methylphenoxy)ethylthio]-3-pyridyl]sulfonyl]piperazine Formula: C19H25N3O3S2 MolecularWeight: 407.5501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CC1=CC=CC=C1OCCSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C19H25N3O3S2/c1-16-5-3-4-6-18(16)25-13-14-26-19-8-7-17(15-20-19)27(23,24)22-11-9-21(2)10-12-22/h3-8,15H,9-14H2,1-2H3