[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-pyrrolidino-benzoic acid [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3

InChI

InChI=1S/C23H26N4O5S/c1-16(22(28)25-18-8-6-7-17(13-18)15-24)32-23(29)20-14-19(33(30,31)26(2)3)9-10-21(20)27-11-4-5-12-27/h6-10,13-14,16H,4-5,11-12H2,1-3H3,(H,25,28)/t16-/m1/s1