2-[(3-chlorophenyl)methylsulfanyl]-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)acetamide CAS Name: 2-[(3-chlorophenyl)methylthio]-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(3-chlorobenzyl)thio]-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)acetamide Formula: C21H25ClN2O4S2 MolecularWeight: 469.0172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSCC2=CC(=CC=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSCC2=CC(=CC=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H25ClN2O4S2/c1-2-28-19-9-8-18(13-20(19)30(26,27)24-10-3-4-11-24)23-21(25)15-29-14-16-6-5-7-17(22)12-16/h5-9,12-13H,2-4,10-11,14-15H2,1H3,(H,23,25)