[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-(phenylsulfonylmethyl)furan-2-carboxylate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-(phenylsulfonylmethyl)furan-2-carboxylate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-ethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate CAS Name: 5-(benzenesulfonylmethyl)-2-furancarboxylic acid [2-(2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxoethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate Traditional Name: 5-(besylmethyl)furan-2-carboxylic acid [2-(2,5-dimethylanilino)-2-keto-ethyl] ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21NO6S/c1-15-8-9-16(2)19(12-15)23-21(24)13-28-22(25)20-11-10-17(29-20)14-30(26,27)18-6-4-3-5-7-18/h3-12H,13-14H2,1-2H3,(H,23,24)