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

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 3-(phenylsulfonylmethyl)furan-2-carboxylate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate CAS Name: 3-(benzenesulfonylmethyl)-2-furancarboxylic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 3-(benzenesulfonylmethyl)furan-2-carboxylate Traditional Name: 3-(besylmethyl)furan-2-carboxylic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=C(C=CO2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=C(C=CO2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21NO6S/c1-16(21(24)23-14-17-8-4-2-5-9-17)29-22(25)20-18(12-13-28-20)15-30(26,27)19-10-6-3-7-11-19/h2-13,16H,14-15H2,1H3,(H,23,24)