methyl 3-[3-(1-methyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoylamino]propanoate

Systemtic Name: methyl 3-[3-(1-methyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoylamino]propanoate Openeye Name: methyl 3-[3-(1-methyl-5-morpholinosulfonyl-benzimidazol-2-yl)propanoylamino]propanoate CAS Name: 3-[[3-[1-methyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoylamino]propanoate Traditional Name: 3-[3-(1-methyl-5-morpholinosulfonyl-benzimidazol-2-yl)propanoylamino]propionic acid methyl ester Formula: C19H26N4O6S MolecularWeight: 438.49794

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)NCCC(=O)OC

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)NCCC(=O)OC

InChI

InChI=1S/C19H26N4O6S/c1-22-16-4-3-14(30(26,27)23-9-11-29-12-10-23)13-15(16)21-17(22)5-6-18(24)20-8-7-19(25)28-2/h3-4,13H,5-12H2,1-2H3,(H,20,24)