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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN(C(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H36N2O5S/c1-3-28(26-15-18-12-19(16-26)14-20(13-18)17-26)24(29)21-8-10-27(11-9-21)34(31,32)23-7-5-4-6-22(23)25(30)33-2/h4-7,18-21H,3,8-17H2,1-2H3