ethyl 1-[2-[(3-chloranyl-4-ethoxy-phenyl)sulfonyl-ethyl-amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(3-chloranyl-4-ethoxy-phenyl)sulfonyl-ethyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(3-chloro-4-ethoxy-phenyl)sulfonyl-ethyl-amino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(3-chloro-4-ethoxy-phenyl)sulfonyl-ethyl-amino]acetyl]isonipecotic acid ethyl ester Formula: C20H29ClN2O6S MolecularWeight: 460.97206

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)N1CCC(CC1)C(=O)OCC)S(=O)(=O)C2=CC(=C(C=C2)OCC)Cl

Isomeric SMILES

CCN(CC(=O)N1CCC(CC1)C(=O)OCC)S(=O)(=O)C2=CC(=C(C=C2)OCC)Cl

InChI

InChI=1S/C20H29ClN2O6S/c1-4-23(30(26,27)16-7-8-18(28-5-2)17(21)13-16)14-19(24)22-11-9-15(10-12-22)20(25)29-6-3/h7-8,13,15H,4-6,9-12,14H2,1-3H3