2-[2-[2-(4-methylphenyl)sulfonylethyl]benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[2-(4-methylphenyl)sulfonylethyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[2-(p-tolylsulfonyl)ethyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[2-(4-methylphenyl)sulfonylethyl]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[2-(4-methylphenyl)sulfonylethyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-(2-tosylethyl)benzimidazol-1-yl]acetic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC2=NC3=CC=CC=C3N2CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC2=NC3=CC=CC=C3N2CC(=O)O

InChI

InChI=1S/C18H18N2O4S/c1-13-6-8-14(9-7-13)25(23,24)11-10-17-19-15-4-2-3-5-16(15)20(17)12-18(21)22/h2-9H,10-12H2,1H3,(H,21,22)