N-[2-(4-ethoxyphenoxy)ethyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(4-ethoxyphenoxy)ethyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(4-ethoxyphenoxy)ethyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[2-(4-ethoxyphenoxy)ethyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-[2-(4-ethoxyphenoxy)ethyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-[2-(4-ethoxyphenoxy)ethyl]-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCNC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCNC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H27N3O5S2/c1-2-28-17-5-7-18(8-6-17)29-14-11-22-20(25)16-30-21-10-9-19(15-23-21)31(26,27)24-12-3-4-13-24/h5-10,15H,2-4,11-14,16H2,1H3,(H,22,25)