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

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid [(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-pyrrolidino-benzoic acid [(1S)-2-keto-1-methyl-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C(C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)C)N2CCCC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)[C@H](C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)C)N2CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C25H33N3O5S/c1-18(20-10-6-5-7-11-20)17-26-24(29)19(2)33-25(30)22-16-21(34(31,32)27(3)4)12-13-23(22)28-14-8-9-15-28/h5-7,10-13,16,18-19H,8-9,14-15,17H2,1-4H3,(H,26,29)/t18-,19+/m1/s1