[2-[(3-cyano-4,5-dimethyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] 2-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] 2-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-[(3-cyano-4,5-dimethyl-2-furyl)amino]-2-oxo-ethyl] 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid [2-[(3-cyano-4,5-dimethyl-2-furanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid [2-[(3-cyano-4,5-dimethyl-2-furyl)amino]-2-keto-ethyl] ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C#N)NC(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CC1=C(OC(=C1C#N)NC(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C21H23N3O6S/c1-14-15(2)30-20(17(14)12-22)23-19(25)13-29-21(26)16-8-4-5-9-18(16)31(27,28)24-10-6-3-7-11-24/h4-5,8-9H,3,6-7,10-11,13H2,1-2H3,(H,23,25)