[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 4-(ethylsulfamoyl)benzoate

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 4-(ethylsulfamoyl)benzoate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 4-(ethylsulfamoyl)benzoate CAS Name: 4-(ethylsulfamoyl)benzoic acid [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate Traditional Name: 4-(ethylsulfamoyl)benzoic acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC(C)(C#N)C2CC2

Isomeric SMILES

CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2

InChI

InChI=1S/C17H21N3O5S/c1-3-19-26(23,24)14-8-4-12(5-9-14)16(22)25-10-15(21)20-17(2,11-18)13-6-7-13/h4-5,8-9,13,19H,3,6-7,10H2,1-2H3,(H,20,21)/t17-/m0/s1