(2-azanyl-2-oxidanylidene-ethyl) 3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)propanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)propanoate Openeye Name: (2-amino-2-oxo-ethyl) 3-[1-methyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]propanoate CAS Name: 3-[1-methyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]propanoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-methyl-5-piperidinosulfonyl-benzimidazol-2-yl)propionic acid (2-amino-2-keto-ethyl) ester Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O5S/c1-21-15-6-5-13(28(25,26)22-9-3-2-4-10-22)11-14(15)20-17(21)7-8-18(24)27-12-16(19)23/h5-6,11H,2-4,7-10,12H2,1H3,(H2,19,23)