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

Systemtic Name: ethyl 1-[2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-ethyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-ethyl-amino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-ethyl-amino]acetyl]isonipecotic acid ethyl ester Formula: C21H32N2O6S MolecularWeight: 440.55358

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O6S/c1-5-23(30(26,27)18-8-9-19(28-6-2)16(4)14-18)15-20(24)22-12-10-17(11-13-22)21(25)29-7-3/h8-9,14,17H,5-7,10-13,15H2,1-4H3