[2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(2,6-diisopropylanilino)-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-(2,6-diisopropylanilino)-2-keto-ethyl] ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O5S/c1-14(2)17-7-6-8-18(15(3)4)20(17)22-19(24)13-28-21(25)16-9-11-23(12-10-16)29(5,26)27/h6-8,14-16H,9-13H2,1-5H3,(H,22,24)