N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(2-furanylmethylthio)ethyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(2-furfurylthio)ethyl]-3-pyrrolidinosulfonyl-benzamide Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCSCC3=CC=CO3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCSCC3=CC=CO3

InChI

InChI=1S/C18H22N2O4S2/c21-18(19-8-12-25-14-16-6-4-11-24-16)15-5-3-7-17(13-15)26(22,23)20-9-1-2-10-20/h3-7,11,13H,1-2,8-10,12,14H2,(H,19,21)