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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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