N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[4-(1-pyrrolidinylsulfonyl)phenyl]thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanylacetamide Traditional Name: N-homoveratryl-2-[(4-pyrrolidinosulfonylphenyl)thio]acetamide Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC

InChI

InChI=1S/C22H28N2O5S2/c1-28-20-10-5-17(15-21(20)29-2)11-12-23-22(25)16-30-18-6-8-19(9-7-18)31(26,27)24-13-3-4-14-24/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,23,25)