3-[1-(phenylsulfonyl)benzimidazol-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[1-(phenylsulfonyl)benzimidazol-2-yl]sulfanylpropanoic acid Openeye Name: 3-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanylpropanoic acid CAS Name: 3-[[1-(benzenesulfonyl)-2-benzimidazolyl]thio]propanoic acid IUPAC Name: 3-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanylpropanoic acid Traditional Name: 3-[(1-besylbenzimidazol-2-yl)thio]propionic acid Formula: C16H14N2O4S2 MolecularWeight: 362.42336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2SCCC(=O)O

InChI

InChI=1S/C16H14N2O4S2/c19-15(20)10-11-23-16-17-13-8-4-5-9-14(13)18(16)24(21,22)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)