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

Systemtic Name: ethyl 1-[2-[(3-chloranyl-4-ethoxy-phenyl)sulfonyl-methyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(3-chloro-4-ethoxy-phenyl)sulfonyl-methyl-amino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(3-chloro-4-ethoxy-phenyl)sulfonyl-methyl-amino]acetyl]isonipecotic acid ethyl ester Formula: C19H27ClN2O6S MolecularWeight: 446.94548

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN2O6S/c1-4-27-17-7-6-15(12-16(17)20)29(25,26)21(3)13-18(23)22-10-8-14(9-11-22)19(24)28-5-2/h6-7,12,14H,4-5,8-11,13H2,1-3H3