1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(phenylmethylsulfanyl)ethyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(phenylmethylsulfanyl)ethyl]pyrrolidine-2-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(phenylmethylthio)ethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C(=O)NCCSCC4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C(=O)NCCSCC4=CC=CC=C4

InChI

InChI=1S/C22H26N2O5S2/c25-22(23-10-14-30-16-17-5-2-1-3-6-17)19-7-4-11-24(19)31(26,27)18-8-9-20-21(15-18)29-13-12-28-20/h1-3,5-6,8-9,15,19H,4,7,10-14,16H2,(H,23,25)