5-bromanyl-2-[[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]carbonylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]carbonylamino]benzoic acid Openeye Name: 5-bromo-2-[[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzoyl]amino]benzoic acid CAS Name: 5-bromo-2-[[[4-[[(2R)-2-(hydroxymethyl)-1-pyrrolidinyl]sulfonyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzoyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[4-[(2R)-2-methylolpyrrolidino]sulfonylbenzoyl]amino]benzoic acid Formula: C19H19BrN2O6S MolecularWeight: 483.33296

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)O)CO

Isomeric SMILES

C1C[C@@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)O)CO

InChI

InChI=1S/C19H19BrN2O6S/c20-13-5-8-17(16(10-13)19(25)26)21-18(24)12-3-6-15(7-4-12)29(27,28)22-9-1-2-14(22)11-23/h3-8,10,14,23H,1-2,9,11H2,(H,21,24)(H,25,26)/t14-/m1/s1