[2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-(2-chloro-5-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-[2-chloro-5-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-(2-chloro-5-pyrrolidinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C19H18BrClN2O6S MolecularWeight: 517.77802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrClN2O6S/c20-12-3-6-17(24)14(9-12)19(26)29-11-18(25)22-16-10-13(4-5-15(16)21)30(27,28)23-7-1-2-8-23/h3-6,9-10,24H,1-2,7-8,11H2,(H,22,25)