[1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoate

Systemtic Name: [1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoate Openeye Name: [2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoate CAS Name: 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoic acid [1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantylamino)-1-oxopropan-2-yl] 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoate Traditional Name: 4-[(2-keto-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoic acid [2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C27H30N4O6S MolecularWeight: 538.6153

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=C(C=C4)NS(=O)(=O)C5=CC6=C(C=C5)NC(=O)N6

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=C(C=C4)NS(=O)(=O)C5=CC6=C(C=C5)NC(=O)N6

InChI

InChI=1S/C27H30N4O6S/c1-15(24(32)30-27-12-16-8-17(13-27)10-18(9-16)14-27)37-25(33)19-2-4-20(5-3-19)31-38(35,36)21-6-7-22-23(11-21)29-26(34)28-22/h2-7,11,15-18,31H,8-10,12-14H2,1H3,(H,30,32)(H2,28,29,34)