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

Systemtic Name: 3-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]benzoic acid Traditional Name: 3-[(1-besylisonipecotoyl)amino]benzoic acid Formula: C19H20N2O5S MolecularWeight: 388.4375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20N2O5S/c22-18(20-16-6-4-5-15(13-16)19(23)24)14-9-11-21(12-10-14)27(25,26)17-7-2-1-3-8-17/h1-8,13-14H,9-12H2,(H,20,22)(H,23,24)