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

Systemtic Name: ethanedioic acid; 3-[1-[3-(4-methylphenyl)sulfinyl-2-oxidanyl-propyl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[2-hydroxy-3-(p-tolylsulfinyl)propyl]-4-piperidyl]-1H-benzimidazol-2-one; oxalic acid CAS Name: 3-[1-[2-hydroxy-3-(4-methylphenyl)sulfinylpropyl]-4-piperidinyl]-1H-benzimidazol-2-one; oxalic acid IUPAC Name: 3-[1-[2-hydroxy-3-(4-methylphenyl)sulfinylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one; oxalic acid Traditional Name: 3-[1-[2-hydroxy-3-(p-tolylsulfinyl)propyl]-4-piperidyl]-1H-benzimidazol-2-one; oxalic acid Formula: C24H29N3O7S MolecularWeight: 503.56796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)CC(CN2CCC(CC2)N3C4=CC=CC=C4NC3=O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)CC(CN2CCC(CC2)N3C4=CC=CC=C4NC3=O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H27N3O3S.C2H2O4/c1-16-6-8-19(9-7-16)29(28)15-18(26)14-24-12-10-17(11-13-24)25-21-5-3-2-4-20(21)23-22(25)27;3-1(4)2(5)6/h2-9,17-18,26H,10-15H2,1H3,(H,23,27);(H,3,4)(H,5,6)