[2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name: [2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-[4-methoxy-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-[4-methoxy-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-keto-2-(4-methoxy-3-piperidinosulfonyl-anilino)ethyl] ester Formula: C25H34N2O6S MolecularWeight: 490.61226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)N5CCCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C25H34N2O6S/c1-32-21-6-5-20(12-22(21)34(30,31)27-7-3-2-4-8-27)26-23(28)16-33-24(29)25-13-17-9-18(14-25)11-19(10-17)15-25/h5-6,12,17-19H,2-4,7-11,13-16H2,1H3,(H,26,28)