[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(tert-butylsulfamoyl)-4-chloranyl-benzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(tert-butylsulfamoyl)-4-chloranyl-benzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 3-(tert-butylsulfamoyl)-4-chloro-benzoate CAS Name: 3-(tert-butylsulfamoyl)-4-chlorobenzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3-(tert-butylsulfamoyl)-4-chlorobenzoate Traditional Name: 3-(tert-butylsulfamoyl)-4-chloro-benzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H22ClN3O5S MolecularWeight: 463.93448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)Cl

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)Cl

InChI

InChI=1S/C21H22ClN3O5S/c1-21(2,3)24-31(28,29)18-13-15(9-10-17(18)22)20(27)30-14-19(26)25(12-11-23)16-7-5-4-6-8-16/h4-10,13,24H,12,14H2,1-3H3