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

Systemtic Name: [1-oxidanylidene-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] adamantane-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] adamantane-2-carboxylate CAS Name: 2-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-2-carboxylate Traditional Name: adamantane-2-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)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC(C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2C3CC4CC(C3)CC2C4

InChI

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