methyl 1-[2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[4-(1-adamantyl)-N-methylsulfonylanilino]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-(1-adamantyl)-N-methylsulfonylanilino]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[4-(1-adamantyl)-N-mesyl-anilino]acetyl]isonipecotic acid methyl ester Formula: C26H36N2O5S MolecularWeight: 488.63944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

InChI

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