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

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl] 4-oxidanylbenzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic 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] 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid [(1R)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S/c1-14(28-20(25)15-4-8-17(23)9-5-15)19(24)21-16-6-10-18(11-7-16)29(26,27)22-12-2-3-13-22/h4-11,14,23H,2-3,12-13H2,1H3,(H,21,24)/t14-/m1/s1