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

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 3,5-bis(bromanyl)-2-oxidanyl-benzoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 3,5-dibromo-2-hydroxy-benzoate CAS Name: 3,5-dibromo-2-hydroxybenzoic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 3,5-dibromo-2-hydroxybenzoate Traditional Name: 3,5-dibromo-2-hydroxy-benzoic acid [2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C19H18Br2N2O6S MolecularWeight: 562.22902

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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(=CC(=C3O)Br)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=CC(=C3O)Br)Br

InChI

InChI=1S/C19H18Br2N2O6S/c20-12-9-15(18(25)16(21)10-12)19(26)29-11-17(24)22-13-3-5-14(6-4-13)30(27,28)23-7-1-2-8-23/h3-6,9-10,25H,1-2,7-8,11H2,(H,22,24)