methyl 4-[3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)propanoylamino]benzoate

Systemtic Name: methyl 4-[3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)propanoylamino]benzoate Openeye Name: methyl 4-[3-[1-methyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]propanoylamino]benzoate CAS Name: 4-[[3-[1-methyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoylamino]benzoate Traditional Name: 4-[3-(1-methyl-5-piperidinosulfonyl-benzimidazol-2-yl)propanoylamino]benzoic acid methyl ester Formula: C24H28N4O5S MolecularWeight: 484.56792

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)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C24H28N4O5S/c1-27-21-11-10-19(34(31,32)28-14-4-3-5-15-28)16-20(21)26-22(27)12-13-23(29)25-18-8-6-17(7-9-18)24(30)33-2/h6-11,16H,3-5,12-15H2,1-2H3,(H,25,29)