methyl 2-[4-(1-adamantylcarbamoyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(1-adamantylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(1-adamantylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(1-adamantylamino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(1-adamantylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(1-adamantylcarbamoyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C24H32N2O5S MolecularWeight: 460.58628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H32N2O5S/c1-31-23(28)20-4-2-3-5-21(20)32(29,30)26-8-6-19(7-9-26)22(27)25-24-13-16-10-17(14-24)12-18(11-16)15-24/h2-5,16-19H,6-15H2,1H3,(H,25,27)