N-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-4-imidazol-1-ylcarbonyl-N-methyl-piperazine-1-sulfonamide

Systemtic Name: N-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-4-imidazol-1-ylcarbonyl-N-methyl-piperazine-1-sulfonamide Openeye Name: N-[2-tert-butyl-1-(tetrahydropyran-4-ylmethyl)benzimidazol-5-yl]-4-(imidazole-1-carbonyl)-N-methyl-piperazine-1-sulfonamide CAS Name: N-[2-tert-butyl-1-(4-oxanylmethyl)-5-benzimidazolyl]-4-[1-imidazolyl(oxo)methyl]-N-methyl-1-piperazinesulfonamide IUPAC Name: N-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-4-(imidazole-1-carbonyl)-N-methylpiperazine-1-sulfonamide Traditional Name: N-[2-tert-butyl-1-(tetrahydropyran-4-ylmethyl)benzimidazol-5-yl]-4-(imidazole-1-carbonyl)-N-methyl-piperazine-1-sulfonamide Formula: C26H37N7O4S MolecularWeight: 543.68148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(N1CC3CCOCC3)C=CC(=C2)N(C)S(=O)(=O)N4CCN(CC4)C(=O)N5C=CN=C5

Isomeric SMILES

CC(C)(C)C1=NC2=C(N1CC3CCOCC3)C=CC(=C2)N(C)S(=O)(=O)N4CCN(CC4)C(=O)N5C=CN=C5

InChI

InChI=1S/C26H37N7O4S/c1-26(2,3)24-28-22-17-21(5-6-23(22)33(24)18-20-7-15-37-16-8-20)29(4)38(35,36)32-13-11-30(12-14-32)25(34)31-10-9-27-19-31/h5-6,9-10,17,19-20H,7-8,11-16,18H2,1-4H3