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

Systemtic Name: [1-[(5-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(phenylsulfonylmethyl)furan-2-carboxylate Openeye Name: [2-(5-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate CAS Name: 3-(benzenesulfonylmethyl)-2-furancarboxylic acid [1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 3-(benzenesulfonylmethyl)furan-2-carboxylate Traditional Name: 3-(besylmethyl)furan-2-carboxylic acid [2-(5-chloro-2-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C22H20ClNO6S MolecularWeight: 461.9153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)OC(=O)C2=C(C=CO2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)OC(=O)C2=C(C=CO2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H20ClNO6S/c1-14-8-9-17(23)12-19(14)24-21(25)15(2)30-22(26)20-16(10-11-29-20)13-31(27,28)18-6-4-3-5-7-18/h3-12,15H,13H2,1-2H3,(H,24,25)