[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(diisopropylamino)-2-oxo-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-4-piperidinecarboxylic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[di(propan-2-yl)amino]-2-oxoethyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylisonipecotic acid [2-(diisopropylamino)-2-keto-ethyl] ester Formula: C20H29ClN2O5S MolecularWeight: 444.97266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)N(C(C)C)C(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H29ClN2O5S/c1-14(2)23(15(3)4)19(24)13-28-20(25)16-9-11-22(12-10-16)29(26,27)18-7-5-17(21)6-8-18/h5-8,14-16H,9-13H2,1-4H3