1-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-(phenylsulfonyl)propan-1-one

Systemtic Name: 1-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-(phenylsulfonyl)propan-1-one Openeye Name: 3-(benzenesulfonyl)-1-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]-1-piperidyl]propan-1-one CAS Name: 3-(benzenesulfonyl)-1-[4-[[2-(phenoxymethyl)-1-benzimidazolyl]methyl]-1-piperidinyl]-1-propanone IUPAC Name: 3-(benzenesulfonyl)-1-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]propan-1-one Traditional Name: 3-besyl-1-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidino]propan-1-one Formula: C29H31N3O4S MolecularWeight: 517.63914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4)C(=O)CCS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4)C(=O)CCS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3O4S/c33-29(17-20-37(34,35)25-11-5-2-6-12-25)31-18-15-23(16-19-31)21-32-27-14-8-7-13-26(27)30-28(32)22-36-24-9-3-1-4-10-24/h1-14,23H,15-22H2