[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-[(1-methylsulfonylpiperidin-4-yl)carbamoyl]piperidine-4-carboxylate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-[(1-methylsulfonylpiperidin-4-yl)carbamoyl]piperidine-4-carboxylate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 1-[(1-methylsulfonyl-4-piperidyl)carbamoyl]piperidine-4-carboxylate CAS Name: 1-[[(1-methylsulfonyl-4-piperidinyl)amino]-oxomethyl]-4-piperidinecarboxylic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 1-[(1-methylsulfonylpiperidin-4-yl)carbamoyl]piperidine-4-carboxylate Traditional Name: 1-[(1-mesyl-4-piperidyl)carbamoyl]isonipecotic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C23H34N4O6S MolecularWeight: 494.60426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2CCN(CC2)C(=O)NC3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2CCN(CC2)C(=O)NC3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C23H34N4O6S/c1-16-5-4-6-17(2)21(16)25-20(28)15-33-22(29)18-7-11-26(12-8-18)23(30)24-19-9-13-27(14-10-19)34(3,31)32/h4-6,18-19H,7-15H2,1-3H3,(H,24,30)(H,25,28)