[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate CAS Name: 4-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate Traditional Name: 4-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C27H32N2O5S MolecularWeight: 496.61838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O5S/c1-17-3-8-24(9-18(17)2)35(32,33)29-23-6-4-22(5-7-23)26(31)34-16-25(30)28-27-13-19-10-20(14-27)12-21(11-19)15-27/h3-9,19-21,29H,10-16H2,1-2H3,(H,28,30)