[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

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