methyl 2-[4-[[(1R)-1-(1-adamantyl)ethyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[[(1R)-1-(1-adamantyl)ethyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[[(1R)-1-(1-adamantyl)ethyl]carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[[(1R)-1-(1-adamantyl)ethyl]amino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[(1R)-1-(1-adamantyl)ethyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[[(1R)-1-(1-adamantyl)ethyl]carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C26H36N2O5S MolecularWeight: 488.63944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C(=O)OC

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C(=O)OC

InChI

InChI=1S/C26H36N2O5S/c1-17(26-14-18-11-19(15-26)13-20(12-18)16-26)27-24(29)21-7-9-28(10-8-21)34(31,32)23-6-4-3-5-22(23)25(30)33-2/h3-6,17-21H,7-16H2,1-2H3,(H,27,29)/t17-,18?,19?,20?,26?/m1/s1