4-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoic acid

Systemtic Name: 4-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoic acid Openeye Name: 4-[[2-chloro-5-(1-piperidylsulfonyl)benzoyl]amino]benzoic acid CAS Name: 4-[[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 4-[(2-chloro-5-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=CC(=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

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