1-[6-[2-(4-methylphenoxy)ethylsulfanyl]pyridin-3-yl]sulfonylazepane

Systemtic Name: 1-[6-[2-(4-methylphenoxy)ethylsulfanyl]pyridin-3-yl]sulfonylazepane Openeye Name: 1-[[6-[2-(4-methylphenoxy)ethylsulfanyl]-3-pyridyl]sulfonyl]azepane CAS Name: 1-[[6-[2-(4-methylphenoxy)ethylthio]-3-pyridinyl]sulfonyl]azepane IUPAC Name: 1-[6-[2-(4-methylphenoxy)ethylsulfanyl]pyridin-3-yl]sulfonylazepane Traditional Name: 1-[[6-[2-(4-methylphenoxy)ethylthio]-3-pyridyl]sulfonyl]azepane Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)OCCSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H26N2O3S2/c1-17-6-8-18(9-7-17)25-14-15-26-20-11-10-19(16-21-20)27(23,24)22-12-4-2-3-5-13-22/h6-11,16H,2-5,12-15H2,1H3