[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5S/c1-13(2)8-11-19-16(21)12-25-17(22)14-4-6-15(7-5-14)26(23,24)20-10-3-9-18/h4-7,13,20H,3,8,10-12H2,1-2H3,(H,19,21)