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

Systemtic Name: cyanomethyl 3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)propanoate Openeye Name: cyanomethyl 3-[1-methyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]propanoate CAS Name: 3-[1-methyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-methyl-5-piperidinosulfonyl-benzimidazol-2-yl)propionic acid cyanomethyl ester Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)OCC#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)OCC#N

InChI

InChI=1S/C18H22N4O4S/c1-21-16-6-5-14(27(24,25)22-10-3-2-4-11-22)13-15(16)20-17(21)7-8-18(23)26-12-9-19/h5-6,13H,2-4,7-8,10-12H2,1H3