ethyl 4-[3-(phenethylcarbamoyl)piperidin-1-yl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(phenethylcarbamoyl)piperidin-1-yl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[[3-(phenethylcarbamoyl)-1-piperidyl]sulfonyl]piperazine-1-carboxylate CAS Name: 4-[[3-[oxo-(phenethylamino)methyl]-1-piperidinyl]sulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(phenethylcarbamoyl)piperidin-1-yl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[3-(phenethylcarbamoyl)piperidino]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C21H32N4O5S MolecularWeight: 452.56758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H32N4O5S/c1-2-30-21(27)23-13-15-24(16-14-23)31(28,29)25-12-6-9-19(17-25)20(26)22-11-10-18-7-4-3-5-8-18/h3-5,7-8,19H,2,6,9-17H2,1H3,(H,22,26)