[2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2,6-dibromo-4-methyl-anilino)-2-oxo-ethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-hydroxy-5-(1-pyrrolidinylsulfonyl)benzoic acid [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-hydroxy-5-pyrrolidinosulfonyl-benzoic acid [2-(2,6-dibromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C20H20Br2N2O6S MolecularWeight: 576.2556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)O)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)O)Br

InChI

InChI=1S/C20H20Br2N2O6S/c1-12-8-15(21)19(16(22)9-12)23-18(26)11-30-20(27)14-10-13(4-5-17(14)25)31(28,29)24-6-2-3-7-24/h4-5,8-10,25H,2-3,6-7,11H2,1H3,(H,23,26)