[1-oxidanylidene-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] adamantane-1-carboxylate

Systemtic Name: [1-oxidanylidene-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] adamantane-1-carboxylate Openeye Name: [1-methyl-2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-keto-1-methyl-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H30N2O5S/c1-14(20(25)24-7-6-15-2-4-19(5-3-15)30(23,27)28)29-21(26)22-11-16-8-17(12-22)10-18(9-16)13-22/h2-5,14,16-18H,6-13H2,1H3,(H,24,25)(H2,23,27,28)