(3-cyanophenyl)methyl 3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)propanoate

Systemtic Name: (3-cyanophenyl)methyl 3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)propanoate Openeye Name: (3-cyanophenyl)methyl 3-[1-methyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]propanoate CAS Name: 3-[1-methyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]propanoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-methyl-5-piperidinosulfonyl-benzimidazol-2-yl)propionic acid (3-cyanobenzyl) ester Formula: C24H26N4O4S MolecularWeight: 466.55264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)OCC4=CC=CC(=C4)C#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)OCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H26N4O4S/c1-27-22-9-8-20(33(30,31)28-12-3-2-4-13-28)15-21(22)26-23(27)10-11-24(29)32-17-19-7-5-6-18(14-19)16-25/h5-9,14-15H,2-4,10-13,17H2,1H3