ethanedioic acid; 3-[1-[3-(4-fluorophenyl)sulfinyl-2-oxidanyl-propyl]piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: ethanedioic acid; 3-[1-[3-(4-fluorophenyl)sulfinyl-2-oxidanyl-propyl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[3-(4-fluorophenyl)sulfinyl-2-hydroxy-propyl]-4-piperidyl]-1H-benzimidazol-2-one; oxalic acid CAS Name: 3-[1-[3-(4-fluorophenyl)sulfinyl-2-hydroxypropyl]-4-piperidinyl]-1H-benzimidazol-2-one; oxalic acid IUPAC Name: 3-[1-[3-(4-fluorophenyl)sulfinyl-2-hydroxypropyl]piperidin-4-yl]-1H-benzimidazol-2-one; oxalic acid Traditional Name: 3-[1-[3-(4-fluorophenyl)sulfinyl-2-hydroxy-propyl]-4-piperidyl]-1H-benzimidazol-2-one; oxalic acid Formula: C23H26FN3O7S MolecularWeight: 507.531843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC(CS(=O)C4=CC=C(C=C4)F)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC(CS(=O)C4=CC=C(C=C4)F)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H24FN3O3S.C2H2O4/c22-15-5-7-18(8-6-15)29(28)14-17(26)13-24-11-9-16(10-12-24)25-20-4-2-1-3-19(20)23-21(25)27;3-1(4)2(5)6/h1-8,16-17,26H,9-14H2,(H,23,27);(H,3,4)(H,5,6)