N-[2-[(4-bromophenyl)-(1H-imidazol-5-ylmethyl)amino]ethyl]-1-methyl-imidazole-4-sulfonamide

Systemtic Name: N-[2-[(4-bromophenyl)-(1H-imidazol-5-ylmethyl)amino]ethyl]-1-methyl-imidazole-4-sulfonamide Openeye Name: N-[2-[4-bromo-N-(1H-imidazol-5-ylmethyl)anilino]ethyl]-1-methyl-imidazole-4-sulfonamide CAS Name: N-[2-[4-bromo-N-(1H-imidazol-5-ylmethyl)anilino]ethyl]-1-methyl-4-imidazolesulfonamide IUPAC Name: N-[2-[4-bromo-N-(1H-imidazol-5-ylmethyl)anilino]ethyl]-1-methylimidazole-4-sulfonamide Traditional Name: N-[2-[4-bromo-N-(1H-imidazol-5-ylmethyl)anilino]ethyl]-1-methyl-imidazole-4-sulfonamide Formula: C16H19BrN6O2S MolecularWeight: 439.33006

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)S(=O)(=O)NCCN(CC2=CN=CN2)C3=CC=C(C=C3)Br

Isomeric SMILES

CN1C=C(N=C1)S(=O)(=O)NCCN(CC2=CN=CN2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H19BrN6O2S/c1-22-10-16(20-12-22)26(24,25)21-6-7-23(9-14-8-18-11-19-14)15-4-2-13(17)3-5-15/h2-5,8,10-12,21H,6-7,9H2,1H3,(H,18,19)