[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-(methylsulfamoyl)benzoate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-(methylsulfamoyl)benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 2-chloro-5-(methylsulfamoyl)benzoate CAS Name: 2-chloro-5-(methylsulfamoyl)benzoic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 2-chloro-5-(methylsulfamoyl)benzoate Traditional Name: 2-chloro-5-(methylsulfamoyl)benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C20H20ClN3O5S MolecularWeight: 449.9079

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC)Cl

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC)Cl

InChI

InChI=1S/C20H20ClN3O5S/c1-14(19(25)24(12-6-11-22)15-7-4-3-5-8-15)29-20(26)17-13-16(9-10-18(17)21)30(27,28)23-2/h3-5,7-10,13-14,23H,6,12H2,1-2H3