[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 3,4,5-tris(oxidanyl)benzoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C19H20N2O8S MolecularWeight: 436.4357

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=C(C(=C3)O)O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=C(C(=C3)O)O)O

InChI

InChI=1S/C19H20N2O8S/c22-15-9-12(10-16(23)18(15)25)19(26)29-11-17(24)20-13-3-5-14(6-4-13)30(27,28)21-7-1-2-8-21/h3-6,9-10,22-23,25H,1-2,7-8,11H2,(H,20,24)