[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(oxolan-2-ylmethylsulfamoyl)benzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(oxolan-2-ylmethylsulfamoyl)benzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 4-chloro-3-(tetrahydrofuran-2-ylmethylsulfamoyl)benzoate CAS Name: 4-chloro-3-(2-oxolanylmethylsulfamoyl)benzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(tetrahydrofurfurylsulfamoyl)benzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C22H22ClN3O6S MolecularWeight: 491.94458

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3)Cl

Isomeric SMILES

C1CC(OC1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3)Cl

InChI

InChI=1S/C22H22ClN3O6S/c23-19-9-8-16(13-20(19)33(29,30)25-14-18-7-4-12-31-18)22(28)32-15-21(27)26(11-10-24)17-5-2-1-3-6-17/h1-3,5-6,8-9,13,18,25H,4,7,11-12,14-15H2