N-[2-(3-methylphenoxy)ethyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(3-methylphenoxy)ethyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(3-methylphenoxy)ethyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[2-(3-methylphenoxy)ethyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-[2-(3-methylphenoxy)ethyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-[2-(3-methylphenoxy)ethyl]-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H25N3O4S2/c1-16-5-4-6-17(13-16)27-12-9-21-19(24)15-28-20-8-7-18(14-22-20)29(25,26)23-10-2-3-11-23/h4-8,13-14H,2-3,9-12,15H2,1H3,(H,21,24)