[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-(phenylsulfonylmethyl)furan-2-carboxylate

Systemtic Name: [2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-(phenylsulfonylmethyl)furan-2-carboxylate Openeye Name: [2-[benzyl(tert-butyl)amino]-2-oxo-ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate CAS Name: 3-(benzenesulfonylmethyl)-2-furancarboxylic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate Traditional Name: 3-(besylmethyl)furan-2-carboxylic acid [2-[benzyl(tert-butyl)amino]-2-keto-ethyl] ester Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=C(C=CO2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=C(C=CO2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H27NO6S/c1-25(2,3)26(16-19-10-6-4-7-11-19)22(27)17-32-24(28)23-20(14-15-31-23)18-33(29,30)21-12-8-5-9-13-21/h4-15H,16-18H2,1-3H3