[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-[methyl(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[methyl-(4-methylphenyl)sulfonylamino]benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[methyl(tosyl)amino]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=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

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

InChI

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