ethyl 1-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]piperidine-3-carboxylate CAS Name: 1-[2-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-(4-besylpiperazino)acetyl]nipecotic acid ethyl ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O5S/c1-2-28-20(25)17-7-6-10-22(15-17)19(24)16-21-11-13-23(14-12-21)29(26,27)18-8-4-3-5-9-18/h3-5,8-9,17H,2,6-7,10-16H2,1H3