ethyl 4-[2-(furan-2-ylmethylcarbamoyl)pyrrolidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[2-(furan-2-ylmethylcarbamoyl)pyrrolidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[2-(2-furylmethylcarbamoyl)pyrrolidin-1-yl]sulfonylbenzoate CAS Name: 4-[[2-[(2-furanylmethylamino)-oxomethyl]-1-pyrrolidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(furan-2-ylmethylcarbamoyl)pyrrolidin-1-yl]sulfonylbenzoate Traditional Name: 4-[2-(2-furfurylcarbamoyl)pyrrolidino]sulfonylbenzoic acid ethyl ester Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCC3=CC=CO3

InChI

InChI=1S/C19H22N2O6S/c1-2-26-19(23)14-7-9-16(10-8-14)28(24,25)21-11-3-6-17(21)18(22)20-13-15-5-4-12-27-15/h4-5,7-10,12,17H,2-3,6,11,13H2,1H3,(H,20,22)