[(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl] 3-acetamidobenzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl] 3-acetamidobenzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [(2R)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [(1R)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC(=O)C3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC(=O)C3=CC(=CC=C3)NC(=O)C

InChI

InChI=1S/C22H25N3O6S/c1-15(31-22(28)17-6-5-7-19(14-17)23-16(2)26)21(27)24-18-8-10-20(11-9-18)32(29,30)25-12-3-4-13-25/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,23,26)(H,24,27)/t15-/m1/s1