3-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]benzoic acid

Systemtic Name: 3-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]benzoic acid Openeye Name: 3-[[4-(1-piperidylsulfonyl)benzoyl]amino]benzoic acid CAS Name: 3-[[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]benzoic acid IUPAC Name: 3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 3-[(4-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=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

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

InChI

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