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

Systemtic Name: methyl 2-[4-(1-adamantylmethylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(1-adamantylmethylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(1-adamantylmethylamino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(1-adamantylmethylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(1-adamantylmethylcarbamoyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H34N2O5S/c1-32-24(29)21-4-2-3-5-22(21)33(30,31)27-8-6-20(7-9-27)23(28)26-16-25-13-17-10-18(14-25)12-19(11-17)15-25/h2-5,17-20H,6-16H2,1H3,(H,26,28)