[1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(phenylsulfonylmethyl)furan-2-carboxylate

Systemtic Name: [1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(phenylsulfonylmethyl)furan-2-carboxylate Openeye Name: [2-(diisopropylamino)-1-methyl-2-oxo-ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate CAS Name: 3-(benzenesulfonylmethyl)-2-furancarboxylic acid [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3-(benzenesulfonylmethyl)furan-2-carboxylate Traditional Name: 3-(besylmethyl)furan-2-carboxylic acid [2-(diisopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C(C)OC(=O)C1=C(C=CO1)CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)N(C(C)C)C(=O)C(C)OC(=O)C1=C(C=CO1)CS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H27NO6S/c1-14(2)22(15(3)4)20(23)16(5)28-21(24)19-17(11-12-27-19)13-29(25,26)18-9-7-6-8-10-18/h6-12,14-16H,13H2,1-5H3