[2-(tert-butylamino)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-3-piperidinecarboxylic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylnipecotic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C18H25ClN2O5S MolecularWeight: 416.9195

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)NC(=O)COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H25ClN2O5S/c1-18(2,3)20-16(22)12-26-17(23)13-5-4-10-21(11-13)27(24,25)15-8-6-14(19)7-9-15/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,22)