[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoate CAS Name: 4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C30H38N2O5S MolecularWeight: 538.69812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C30H38N2O5S/c1-19-5-8-24(29(2,3)4)14-26(19)38(35,36)32-25-9-6-23(7-10-25)28(34)37-18-27(33)31-30-15-20-11-21(16-30)13-22(12-20)17-30/h5-10,14,20-22,32H,11-13,15-18H2,1-4H3,(H,31,33)