5-bromanyl-2-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]benzoic acid Openeye Name: 5-bromo-2-[[4-(1-piperidylsulfonyl)benzoyl]amino]benzoic acid CAS Name: 5-bromo-2-[[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 5-bromo-2-[(4-piperidinosulfonylbenzoyl)amino]benzoic acid Formula: C19H19BrN2O5S MolecularWeight: 467.33356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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