[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonylbenzoic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC3=CC=CO3)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC3=CC=CO3)C

InChI

InChI=1S/C21H26N2O6S/c1-15-9-16(2)13-23(12-15)30(26,27)19-7-3-5-17(10-19)21(25)29-14-20(24)22-11-18-6-4-8-28-18/h3-8,10,15-16H,9,11-14H2,1-2H3,(H,22,24)