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

Systemtic Name: 5-bromanyl-2-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]benzoic acid hydrochloride Openeye Name: 5-bromo-2-[[4-(1-piperidylsulfonyl)benzoyl]amino]benzoic acid hydrochloride CAS Name: 5-bromo-2-[[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]benzoic acid hydrochloride IUPAC Name: 5-bromo-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid hydrochloride Traditional Name: 5-bromo-2-[(4-piperidinosulfonylbenzoyl)amino]benzoic acid hydrochloride Formula: C19H20BrClN2O5S MolecularWeight: 503.7945

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN2O5S.ClH/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);1H