tert-butyl 1-(4-methoxycarbonyl-2-methylsulfonyl-phenyl)-4-(methylamino)piperidine-4-carboxylate

Systemtic Name: tert-butyl 1-(4-methoxycarbonyl-2-methylsulfonyl-phenyl)-4-(methylamino)piperidine-4-carboxylate Openeye Name: tert-butyl 1-(4-methoxycarbonyl-2-methylsulfonyl-phenyl)-4-(methylamino)piperidine-4-carboxylate CAS Name: 1-(4-methoxycarbonyl-2-methylsulfonylphenyl)-4-(methylamino)-4-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(4-methoxycarbonyl-2-methylsulfonylphenyl)-4-(methylamino)piperidine-4-carboxylate Traditional Name: 1-(4-carbomethoxy-2-mesyl-phenyl)-4-(methylamino)isonipecotic acid tert-butyl ester Formula: C20H30N2O6S MolecularWeight: 426.527

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)S(=O)(=O)C)NC

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)S(=O)(=O)C)NC

InChI

InChI=1S/C20H30N2O6S/c1-19(2,3)28-18(24)20(21-4)9-11-22(12-10-20)15-8-7-14(17(23)27-5)13-16(15)29(6,25)26/h7-8,13,21H,9-12H2,1-6H3