4-[3-[[4-(4-methylphenyl)sulfonylphenyl]-piperidin-4-yl-amino]-2-oxidanyl-propoxy]-1,3-dihydrobenzimidazol-2-one

Systemtic Name: 4-[3-[[4-(4-methylphenyl)sulfonylphenyl]-piperidin-4-yl-amino]-2-oxidanyl-propoxy]-1,3-dihydrobenzimidazol-2-one Openeye Name: 4-[2-hydroxy-3-[N-(4-piperidyl)-4-(p-tolylsulfonyl)anilino]propoxy]-1,3-dihydrobenzimidazol-2-one CAS Name: 4-[2-hydroxy-3-[4-(4-methylphenyl)sulfonyl-N-(4-piperidinyl)anilino]propoxy]-1,3-dihydrobenzimidazol-2-one IUPAC Name: 4-[2-hydroxy-3-[4-(4-methylphenyl)sulfonyl-N-piperidin-4-ylanilino]propoxy]-1,3-dihydrobenzimidazol-2-one Traditional Name: 4-[2-hydroxy-3-[N-(4-piperidyl)-4-tosyl-anilino]propoxy]-1,3-dihydrobenzimidazol-2-one Formula: C28H32N4O5S MolecularWeight: 536.64248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N(CC(COC3=CC=CC4=C3NC(=O)N4)O)C5CCNCC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N(CC(COC3=CC=CC4=C3NC(=O)N4)O)C5CCNCC5

InChI

InChI=1S/C28H32N4O5S/c1-19-5-9-23(10-6-19)38(35,36)24-11-7-20(8-12-24)32(21-13-15-29-16-14-21)17-22(33)18-37-26-4-2-3-25-27(26)31-28(34)30-25/h2-12,21-22,29,33H,13-18H2,1H3,(H2,30,31,34)