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

Systemtic Name: 4-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoic acid Openeye Name: 4-[[4-chloro-3-(1-piperidylsulfonyl)benzoyl]amino]benzoic acid CAS Name: 4-[[[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 4-[(4-chloro-3-piperidinosulfonyl-benzoyl)amino]benzoic acid Formula: C19H19ClN2O5S MolecularWeight: 422.88256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O5S/c20-16-9-6-14(12-17(16)28(26,27)22-10-2-1-3-11-22)18(23)21-15-7-4-13(5-8-15)19(24)25/h4-9,12H,1-3,10-11H2,(H,21,23)(H,24,25)