ethyl 1-[2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-mesitylsulfonylpiperazino)acetyl]isonipecotic acid ethyl ester Formula: C23H35N3O5S MolecularWeight: 465.6061

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C23H35N3O5S/c1-5-31-23(28)20-6-8-25(9-7-20)21(27)16-24-10-12-26(13-11-24)32(29,30)22-18(3)14-17(2)15-19(22)4/h14-15,20H,5-13,16H2,1-4H3