2-[(4-methylsulfonylphenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-[(4-methylsulfonylphenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[(4-methylsulfonylphenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[(4-methylsulfonylphenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[(4-methylsulfonylphenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[(4-mesylphenyl)sulfonylmethyl]-1H-benzimidazole-4-carboxamide Formula: C16H15N3O5S2 MolecularWeight: 393.4374

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)CC2=NC3=C(C=CC=C3N2)C(=O)N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)CC2=NC3=C(C=CC=C3N2)C(=O)N

InChI

InChI=1S/C16H15N3O5S2/c1-25(21,22)10-5-7-11(8-6-10)26(23,24)9-14-18-13-4-2-3-12(16(17)20)15(13)19-14/h2-8H,9H2,1H3,(H2,17,20)(H,18,19)