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

Systemtic Name: methyl 2-[3-(1-butyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoyloxy]propanoate Openeye Name: methyl 2-[3-(1-butyl-5-morpholinosulfonyl-benzimidazol-2-yl)propanoyloxy]propanoate CAS Name: 2-[3-[1-butyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]-1-oxopropoxy]propanoic acid methyl ester IUPAC Name: methyl 2-[3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoyloxy]propanoate Traditional Name: 2-[3-(1-butyl-5-morpholinosulfonyl-benzimidazol-2-yl)propanoyloxy]propionic acid methyl ester Formula: C22H31N3O7S MolecularWeight: 481.56244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)OC(C)C(=O)OC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)OC(C)C(=O)OC

InChI

InChI=1S/C22H31N3O7S/c1-4-5-10-25-19-7-6-17(33(28,29)24-11-13-31-14-12-24)15-18(19)23-20(25)8-9-21(26)32-16(2)22(27)30-3/h6-7,15-16H,4-5,8-14H2,1-3H3