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

Systemtic Name: 3-(1-butyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoic acid Openeye Name: 3-(1-butyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoic acid CAS Name: 3-[1-butyl-5-(1-pyrrolidinylsulfonyl)-2-benzimidazolyl]propanoic acid IUPAC Name: 3-(1-butyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanoic acid Traditional Name: 3-(1-butyl-5-pyrrolidinosulfonyl-benzimidazol-2-yl)propionic acid Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N=C1CCC(=O)O

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N=C1CCC(=O)O

InChI

InChI=1S/C18H25N3O4S/c1-2-3-12-21-16-7-6-14(26(24,25)20-10-4-5-11-20)13-15(16)19-17(21)8-9-18(22)23/h6-7,13H,2-5,8-12H2,1H3,(H,22,23)