[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid [2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OC(C)C(=O)NCC3=CC=CO3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OC(C)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C21H26N2O6S/c1-15-8-9-18(30(26,27)23-10-4-3-5-11-23)13-19(15)21(25)29-16(2)20(24)22-14-17-7-6-12-28-17/h6-9,12-13,16H,3-5,10-11,14H2,1-2H3,(H,22,24)