[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-(cyclopropylsulfamoyl)benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-(cyclopropylsulfamoyl)benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 4-(cyclopropylsulfamoyl)benzoate CAS Name: 4-(cyclopropylsulfamoyl)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate Traditional Name: 4-(cyclopropylsulfamoyl)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1CC1NS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C18H20N4O5S/c19-9-1-11-22(12-2-10-20)17(23)13-27-18(24)14-3-7-16(8-4-14)28(25,26)21-15-5-6-15/h3-4,7-8,15,21H,1-2,5-6,11-13H2