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

Systemtic Name: 3-(1-butyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoate Openeye Name: 3-(1-butyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoate CAS Name: 3-[1-butyl-5-(1-pyrrolidinylsulfonyl)-2-benzimidazolyl]propanoate IUPAC Name: 3-(1-butyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-butyl-5-pyrrolidinosulfonyl-benzimidazol-2-yl)propionate Formula: C18H24N3O4S- MolecularWeight: 378.46586

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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)/p-1