2-[(4-methylphenyl)sulfonylmethyl]-3H-benzimidazole-5-carboxylate

Systemtic Name: 2-[(4-methylphenyl)sulfonylmethyl]-3H-benzimidazole-5-carboxylate Openeye Name: 2-(p-tolylsulfonylmethyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-[(4-methylphenyl)sulfonylmethyl]-3H-benzimidazole-5-carboxylate IUPAC Name: 2-[(4-methylphenyl)sulfonylmethyl]-3H-benzimidazole-5-carboxylate Traditional Name: 2-(tosylmethyl)-3H-benzimidazole-5-carboxylate Formula: C16H13N2O4S- MolecularWeight: 329.35042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=NC3=C(N2)C=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=NC3=C(N2)C=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C16H14N2O4S/c1-10-2-5-12(6-3-10)23(21,22)9-15-17-13-7-4-11(16(19)20)8-14(13)18-15/h2-8H,9H2,1H3,(H,17,18)(H,19,20)/p-1