[(2R)-1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [(2R)-1-oxo-1-[(4-phenyl-2-thiazolyl)amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [(1R)-2-keto-1-methyl-2-[(4-phenylthiazol-2-yl)amino]ethyl] ester Formula: C23H23N3O5S2 MolecularWeight: 485.57582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C[C@H](C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H23N3O5S2/c1-16(21(27)25-23-24-20(15-32-23)17-8-3-2-4-9-17)31-22(28)18-10-7-11-19(14-18)33(29,30)26-12-5-6-13-26/h2-4,7-11,14-16H,5-6,12-13H2,1H3,(H,24,25,27)/t16-/m1/s1