3-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanylpropanoic acid

Systemtic Name: 3-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanylpropanoic acid Openeye Name: 3-[1-(2-naphthylsulfonyl)benzimidazol-2-yl]sulfanylpropanoic acid CAS Name: 3-[[1-(2-naphthalenylsulfonyl)-2-benzimidazolyl]thio]propanoic acid IUPAC Name: 3-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanylpropanoic acid Traditional Name: 3-[[1-(2-naphthylsulfonyl)benzimidazol-2-yl]thio]propionic acid Formula: C20H16N2O4S2 MolecularWeight: 412.48204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N3C4=CC=CC=C4N=C3SCCC(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N3C4=CC=CC=C4N=C3SCCC(=O)O

InChI

InChI=1S/C20H16N2O4S2/c23-19(24)11-12-27-20-21-17-7-3-4-8-18(17)22(20)28(25,26)16-10-9-14-5-1-2-6-15(14)13-16/h1-10,13H,11-12H2,(H,23,24)