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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonylnipecotic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C19H28N2O6S MolecularWeight: 412.50042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCNC(=O)COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C19H28N2O6S/c1-3-4-11-20-18(22)14-27-19(23)15-6-5-12-21(13-15)28(24,25)17-9-7-16(26-2)8-10-17/h7-10,15H,3-6,11-14H2,1-2H3,(H,20,22)