[2-[5-[2-(methylsulfonylamino)ethyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-[5-[2-(methylsulfonylamino)ethyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-[5-[2-(methanesulfonamido)ethyl]-2-thienyl]-2-oxo-ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [2-[5-[2-(methanesulfonamido)ethyl]-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-keto-2-[5-[2-(methanesulfonamido)ethyl]-2-thienyl]ethyl] ester Formula: C22H30N2O6S2 MolecularWeight: 482.6134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)C4=CC=C(S4)CCNS(=O)(=O)C

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)C4=CC=C(S4)CCNS(=O)(=O)C

InChI

InChI=1S/C22H30N2O6S2/c1-14(25)24-22-10-15-7-16(11-22)9-21(8-15,13-22)20(27)30-12-18(26)19-4-3-17(31-19)5-6-23-32(2,28)29/h3-4,15-16,23H,5-13H2,1-2H3,(H,24,25)