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

Systemtic Name: 3-[(4-bromanyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoic acid Openeye Name: 3-[[4-bromo-3-(1-piperidylsulfonyl)benzoyl]amino]benzoic acid CAS Name: 3-[[[4-bromo-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(4-bromo-3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 3-[(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(=C3)C(=O)O)Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)O)Br

InChI

InChI=1S/C19H19BrN2O5S/c20-16-8-7-13(12-17(16)28(26,27)22-9-2-1-3-10-22)18(23)21-15-6-4-5-14(11-15)19(24)25/h4-8,11-12H,1-3,9-10H2,(H,21,23)(H,24,25)