2-[(4-bromanyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoic acid

Systemtic Name: 2-[(4-bromanyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoic acid Openeye Name: 2-[[4-bromo-3-(1-piperidylsulfonyl)benzoyl]amino]benzoic acid CAS Name: 2-[[[4-bromo-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[(4-bromo-3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 2-[(4-bromo-3-piperidinosulfonyl-benzoyl)amino]benzoic acid Formula: C19H19BrN2O5S MolecularWeight: 467.33356

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O)Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O)Br

InChI

InChI=1S/C19H19BrN2O5S/c20-15-9-8-13(12-17(15)28(26,27)22-10-4-1-5-11-22)18(23)21-16-7-3-2-6-14(16)19(24)25/h2-3,6-9,12H,1,4-5,10-11H2,(H,21,23)(H,24,25)