methyl 3-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]adamantane-1-carboxylate

Systemtic Name: methyl 3-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]adamantane-1-carboxylate Openeye Name: methyl 3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]adamantane-1-carboxylate CAS Name: 3-[[(1-methylsulfonyl-4-piperidinyl)-oxomethyl]amino]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]adamantane-1-carboxylate Traditional Name: 3-[(1-mesylisonipecotoyl)amino]adamantane-1-carboxylic acid methyl ester Formula: C19H30N2O5S MolecularWeight: 398.5169

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)CC(C3)(C2)NC(=O)C4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

COC(=O)C12CC3CC(C1)CC(C3)(C2)NC(=O)C4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C19H30N2O5S/c1-26-17(23)18-8-13-7-14(9-18)11-19(10-13,12-18)20-16(22)15-3-5-21(6-4-15)27(2,24)25/h13-15H,3-12H2,1-2H3,(H,20,22)