[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-(methylsulfamoyl)benzoate

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-(methylsulfamoyl)benzoate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 2-chloro-5-(methylsulfamoyl)benzoate CAS Name: 2-chloro-5-(methylsulfamoyl)benzoic acid [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate Traditional Name: 2-chloro-5-(methylsulfamoyl)benzoic acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C16H18ClN3O5S MolecularWeight: 399.84922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC)Cl

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC)Cl

InChI

InChI=1S/C16H18ClN3O5S/c1-16(9-18,10-3-4-10)20-14(21)8-25-15(22)12-7-11(5-6-13(12)17)26(23,24)19-2/h5-7,10,19H,3-4,8H2,1-2H3,(H,20,21)/t16-/m0/s1