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

Systemtic Name: ethyl 1-[2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-methyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-methyl-amino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-methyl-amino]acetyl]isonipecotic acid ethyl ester Formula: C20H30N2O6S MolecularWeight: 426.527

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N(C)CC(=O)N2CCC(CC2)C(=O)OCC)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N(C)CC(=O)N2CCC(CC2)C(=O)OCC)C

InChI

InChI=1S/C20H30N2O6S/c1-5-27-18-8-7-17(13-15(18)3)29(25,26)21(4)14-19(23)22-11-9-16(10-12-22)20(24)28-6-2/h7-8,13,16H,5-6,9-12,14H2,1-4H3