[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(dimethylsulfamoyl)-4-methoxy-benzoate

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(dimethylsulfamoyl)-4-methoxy-benzoate Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 3-(dimethylsulfamoyl)-4-methoxy-benzoate CAS Name: 3-(dimethylsulfamoyl)-4-methoxybenzoic acid [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate Traditional Name: 3-(dimethylsulfamoyl)-4-methoxy-benzoic acid [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N(C)C

Isomeric SMILES

CC(C)[C@@](C)(C#N)NC(=O)COC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N(C)C

InChI

InChI=1S/C18H25N3O6S/c1-12(2)18(3,11-19)20-16(22)10-27-17(23)13-7-8-14(26-6)15(9-13)28(24,25)21(4)5/h7-9,12H,10H2,1-6H3,(H,20,22)/t18-/m1/s1