[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-phenetylsulfonylisonipecotic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H31N3O7S MolecularWeight: 469.55174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC(=O)NC(C)(C)C

InChI

InChI=1S/C21H31N3O7S/c1-5-30-16-6-8-17(9-7-16)32(28,29)24-12-10-15(11-13-24)19(26)31-14-18(25)22-20(27)23-21(2,3)4/h6-9,15H,5,10-14H2,1-4H3,(H2,22,23,25,27)