[1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-(phenylsulfonylmethyl)furan-2-carboxylate

Systemtic Name: [1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-(phenylsulfonylmethyl)furan-2-carboxylate Openeye Name: [2-(4-tert-butylanilino)-1-methyl-2-oxo-ethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate CAS Name: 5-(benzenesulfonylmethyl)-2-furancarboxylic acid [1-(4-tert-butylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-tert-butylanilino)-1-oxopropan-2-yl] 5-(benzenesulfonylmethyl)furan-2-carboxylate Traditional Name: 5-(besylmethyl)furan-2-carboxylic acid [2-(4-tert-butylanilino)-2-keto-1-methyl-ethyl] ester Formula: C25H27NO6S MolecularWeight: 469.54998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H27NO6S/c1-17(23(27)26-19-12-10-18(11-13-19)25(2,3)4)31-24(28)22-15-14-20(32-22)16-33(29,30)21-8-6-5-7-9-21/h5-15,17H,16H2,1-4H3,(H,26,27)