3-(1-butyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoic acid

Systemtic Name: 3-(1-butyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoic acid Openeye Name: 3-(1-butyl-5-morpholinosulfonyl-benzimidazol-2-yl)propanoic acid CAS Name: 3-[1-butyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]propanoic acid IUPAC Name: 3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoic acid Traditional Name: 3-(1-butyl-5-morpholinosulfonyl-benzimidazol-2-yl)propionic acid Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O5S/c1-2-3-8-21-16-5-4-14(27(24,25)20-9-11-26-12-10-20)13-15(16)19-17(21)6-7-18(22)23/h4-5,13H,2-3,6-12H2,1H3,(H,22,23)