[2-[(4-methyl-3-sulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-[(4-methyl-3-sulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(4-methyl-3-sulfamoyl-anilino)-2-oxo-ethyl] 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-keto-2-(4-methyl-3-sulfamoyl-anilino)ethyl] ester Formula: C20H26N2O6S MolecularWeight: 422.49524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)O)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)O)S(=O)(=O)N

InChI

InChI=1S/C20H26N2O6S/c1-12-2-3-15(5-16(12)29(21,26)27)22-17(23)10-28-18(24)19-6-13-4-14(7-19)9-20(25,8-13)11-19/h2-3,5,13-14,25H,4,6-11H2,1H3,(H,22,23)(H2,21,26,27)