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

Systemtic Name: methyl 3-[3-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoylamino]propanoate Openeye Name: methyl 3-[3-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)propanoylamino]propanoate CAS Name: 3-[[3-[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoylamino]propanoate Traditional Name: 3-[3-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)propanoylamino]propionic acid methyl ester Formula: C20H28N4O6S MolecularWeight: 452.52452

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)NCCC(=O)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)NCCC(=O)OC

InChI

InChI=1S/C20H28N4O6S/c1-3-24-17-5-4-15(31(27,28)23-10-12-30-13-11-23)14-16(17)22-18(24)6-7-19(25)21-9-8-20(26)29-2/h4-5,14H,3,6-13H2,1-2H3,(H,21,25)