[1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-(phenylsulfonylmethyl)furan-2-carboxylate

Systemtic Name: [1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-(phenylsulfonylmethyl)furan-2-carboxylate Openeye Name: [2-(3-chloroanilino)-1-methyl-2-oxo-ethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate CAS Name: 5-(benzenesulfonylmethyl)-2-furancarboxylic acid [1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloroanilino)-1-oxopropan-2-yl] 5-(benzenesulfonylmethyl)furan-2-carboxylate Traditional Name: 5-(besylmethyl)furan-2-carboxylic acid [2-(3-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H18ClNO6S MolecularWeight: 447.88872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClNO6S/c1-14(20(24)23-16-7-5-6-15(22)12-16)28-21(25)19-11-10-17(29-19)13-30(26,27)18-8-3-2-4-9-18/h2-12,14H,13H2,1H3,(H,23,24)