2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]ethanamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]ethanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]acetamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[4-(pyrrolidine-1-carbonyl)benzyl]acetamide Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)CNC(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)CNC(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H24N2O4S/c25-21(15-29-18-7-8-19-20(13-18)28-12-11-27-19)23-14-16-3-5-17(6-4-16)22(26)24-9-1-2-10-24/h3-8,13H,1-2,9-12,14-15H2,(H,23,25)