[(2S)-1-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-cyanobenzoate

Systemtic Name: [(2S)-1-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-cyanobenzoate Openeye Name: [(1S)-2-[5-(dimethylsulfamoyl)-2-methyl-anilino]-1-methyl-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [(2S)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [(1S)-2-[5-(dimethylsulfamoyl)-2-methyl-anilino]-2-keto-1-methyl-ethyl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H21N3O5S/c1-13-5-10-17(29(26,27)23(3)4)11-18(13)22-19(24)14(2)28-20(25)16-8-6-15(12-21)7-9-16/h5-11,14H,1-4H3,(H,22,24)/t14-/m0/s1