ethyl 1-[2-(2-chloranyl-4-piperidin-1-ylsulfonyl-phenoxy)ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(2-chloranyl-4-piperidin-1-ylsulfonyl-phenoxy)ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[2-chloro-4-(1-piperidylsulfonyl)phenoxy]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[2-chloro-4-(1-piperidinylsulfonyl)phenoxy]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(2-chloro-4-piperidinosulfonyl-phenoxy)acetyl]isonipecotic acid ethyl ester Formula: C21H29ClN2O6S MolecularWeight: 472.98276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C21H29ClN2O6S/c1-2-29-21(26)16-8-12-23(13-9-16)20(25)15-30-19-7-6-17(14-18(19)22)31(27,28)24-10-4-3-5-11-24/h6-7,14,16H,2-5,8-13,15H2,1H3