ethyl 4-[4-(piperidin-1-ylsulfonylmethyl)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(piperidin-1-ylsulfonylmethyl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-(1-piperidylsulfonylmethyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[4-(1-piperidinylsulfonylmethyl)phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(piperidin-1-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(piperidinosulfonylmethyl)benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CS(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CS(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H29N3O5S/c1-2-28-20(25)22-14-12-21(13-15-22)19(24)18-8-6-17(7-9-18)16-29(26,27)23-10-4-3-5-11-23/h6-9H,2-5,10-16H2,1H3