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

Systemtic Name: 4-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]benzoic acid Openeye Name: 4-[[4-(1-piperidylsulfonyl)benzoyl]amino]benzoic acid CAS Name: 4-[[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]benzoic acid IUPAC Name: 4-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 4-[(4-piperidinosulfonylbenzoyl)amino]benzoic acid Formula: C19H20N2O5S MolecularWeight: 388.4375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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