[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name: [2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-[2-methyl-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-[2-methyl-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-keto-2-(2-methyl-5-piperidinosulfonyl-anilino)ethyl] ester Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H34N2O5S/c1-17-5-6-21(33(30,31)27-7-3-2-4-8-27)12-22(17)26-23(28)16-32-24(29)25-13-18-9-19(14-25)11-20(10-18)15-25/h5-6,12,18-20H,2-4,7-11,13-16H2,1H3,(H,26,28)