3-[(2-chlorophenyl)-iodanyl-methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide

Systemtic Name: 3-[(2-chlorophenyl)-iodanyl-methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[(2-chlorophenyl)-iodo-methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide CAS Name: 3-[(2-chlorophenyl)-iodomethyl]-2-methyl-N-pentylsulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[(2-chlorophenyl)-iodomethyl]-2-methyl-N-pentylsulfonylbenzimidazole-5-carboxamide Traditional Name: N-amylsulfonyl-3-[(2-chlorophenyl)-iodo-methyl]-2-methyl-benzimidazole-5-carboxamide Formula: C21H23ClIN3O3S MolecularWeight: 559.84809

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2C(C3=CC=CC=C3Cl)I)C

Isomeric SMILES

CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2C(C3=CC=CC=C3Cl)I)C

InChI

InChI=1S/C21H23ClIN3O3S/c1-3-4-7-12-30(28,29)25-21(27)15-10-11-18-19(13-15)26(14(2)24-18)20(23)16-8-5-6-9-17(16)22/h5-6,8-11,13,20H,3-4,7,12H2,1-2H3,(H,25,27)