[(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-yl-benzoate

Systemtic Name: [(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-yl-benzoate Openeye Name: [(1S)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-morpholino-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(4-morpholinyl)benzoic acid [(2S)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-morpholino-benzoic acid [(1S)-2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H24N4O6S2 MolecularWeight: 492.56846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCOCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CS1)C#N)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCOCC3

InChI

InChI=1S/C21H24N4O6S2/c1-14(19(26)23-20-15(13-22)6-11-32-20)31-21(27)17-12-16(33(28,29)24(2)3)4-5-18(17)25-7-9-30-10-8-25/h4-6,11-12,14H,7-10H2,1-3H3,(H,23,26)/t14-/m0/s1