3-[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]benzoic acid

Systemtic Name: 3-[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]benzoic acid Openeye Name: 3-[[3-(1-piperidylsulfonyl)benzoyl]amino]benzoic acid CAS Name: 3-[[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]amino]benzoic acid IUPAC Name: 3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 3-[(3-piperidinosulfonylbenzoyl)amino]benzoic acid Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S/c22-18(20-16-8-4-7-15(12-16)19(23)24)14-6-5-9-17(13-14)27(25,26)21-10-2-1-3-11-21/h4-9,12-13H,1-3,10-11H2,(H,20,22)(H,23,24)