ethyl 1-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetyl]piperidine-3-carboxylate CAS Name: 1-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-(4-tosylpiperazino)acetyl]nipecotic acid ethyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H31N3O5S/c1-3-29-21(26)18-5-4-10-23(15-18)20(25)16-22-11-13-24(14-12-22)30(27,28)19-8-6-17(2)7-9-19/h6-9,18H,3-5,10-16H2,1-2H3