[2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: [2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: [2-(diisobutylamino)-2-oxo-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [2-[bis(2-methylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [2-(diisobutylamino)-2-keto-ethyl] ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC#N

Isomeric SMILES

CC(C)CN(CC(C)C)C(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC#N

InChI

InChI=1S/C20H29N3O5S/c1-15(2)12-23(13-16(3)4)19(24)14-28-20(25)17-6-8-18(9-7-17)29(26,27)22-11-5-10-21/h6-9,15-16,22H,5,11-14H2,1-4H3