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

Systemtic Name: 5-bromanyl-2-[[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]carbonylamino]benzoic acid Openeye Name: 5-bromo-2-[[4-[[2-(hydroxymethyl)-1-piperidyl]sulfonyl]benzoyl]amino]benzoic acid CAS Name: 5-bromo-2-[[[4-[[2-(hydroxymethyl)-1-piperidinyl]sulfonyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylbenzoyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[4-(2-methylolpiperidino)sulfonylbenzoyl]amino]benzoic acid Formula: C20H21BrN2O6S MolecularWeight: 497.35954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CO)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1CCN(C(C1)CO)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C20H21BrN2O6S/c21-14-6-9-18(17(11-14)20(26)27)22-19(25)13-4-7-16(8-5-13)30(28,29)23-10-2-1-3-15(23)12-24/h4-9,11,15,24H,1-3,10,12H2,(H,22,25)(H,26,27)