2-[[(3-iodanylphenyl)amino]methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[[(3-iodanylphenyl)amino]methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(3-iodoanilino)methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[(3-iodoanilino)methyl]-N,N-dimethyl-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(3-iodoanilino)methyl]-N,N-dimethyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[(3-iodoanilino)methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide Formula: C19H23IN4O2S MolecularWeight: 498.38099

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CNC3=CC(=CC=C3)I

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CNC3=CC(=CC=C3)I

InChI

InChI=1S/C19H23IN4O2S/c1-4-10-24-18-9-8-16(27(25,26)23(2)3)12-17(18)22-19(24)13-21-15-7-5-6-14(20)11-15/h5-9,11-12,21H,4,10,13H2,1-3H3