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

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-(tert-butylsulfamoyl)benzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 4-(tert-butylsulfamoyl)benzoate CAS Name: 4-(tert-butylsulfamoyl)benzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 4-(tert-butylsulfamoyl)benzoate Traditional Name: 4-(tert-butylsulfamoyl)benzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S/c1-21(2,3)23-30(27,28)18-11-9-16(10-12-18)20(26)29-15-19(25)24(14-13-22)17-7-5-4-6-8-17/h4-12,23H,14-15H2,1-3H3