N-[2-(phenylmethylsulfanyl)ethyl]-5-pyrrolidin-1-ylsulfonyl-furan-2-carboxamide

Systemtic Name: N-[2-(phenylmethylsulfanyl)ethyl]-5-pyrrolidin-1-ylsulfonyl-furan-2-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-5-pyrrolidin-1-ylsulfonyl-furan-2-carboxamide CAS Name: N-[2-(phenylmethylthio)ethyl]-5-(1-pyrrolidinylsulfonyl)-2-furancarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-5-pyrrolidinosulfonyl-2-furamide Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(O2)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(O2)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O4S2/c21-18(19-10-13-25-14-15-6-2-1-3-7-15)16-8-9-17(24-16)26(22,23)20-11-4-5-12-20/h1-3,6-9H,4-5,10-14H2,(H,19,21)