3-[[5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazol-4-yl]carbonylamino]benzenesulfonic acid

Systemtic Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazol-4-yl]carbonylamino]benzenesulfonic acid Openeye Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]benzenesulfonic acid CAS Name: 3-[[[5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazol-4-yl]-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]benzenesulfonic acid Traditional Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]besylic acid Formula: C28H37N3O4S MolecularWeight: 511.67608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC(=CC=C6)S(=O)(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC(=CC=C6)S(=O)(=O)O

InChI

InChI=1S/C28H37N3O4S/c32-27(29-22-7-4-8-23(14-22)36(33,34)35)25-24(30-26(31-25)21-5-2-1-3-6-21)9-10-28-15-18-11-19(16-28)13-20(12-18)17-28/h4,7-8,14,18-21H,1-3,5-6,9-13,15-17H2,(H,29,32)(H,30,31)(H,33,34,35)