[(2S)-1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [(2S)-1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: [(1S)-1-methyl-2-(2-methylanilino)-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid [(2S)-1-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylanilino)-1-oxopropan-2-yl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-pyrrolidino-benzoic acid [(1S)-2-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)[C@H](C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3

InChI

InChI=1S/C23H29N3O5S/c1-16-9-5-6-10-20(16)24-22(27)17(2)31-23(28)19-15-18(32(29,30)25(3)4)11-12-21(19)26-13-7-8-14-26/h5-6,9-12,15,17H,7-8,13-14H2,1-4H3,(H,24,27)/t17-/m0/s1