2-(3-chloranylphenoxy)ethyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 2-(3-chloranylphenoxy)ethyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 2-(3-chlorophenoxy)ethyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxycarbonylphenyl)sulfonyl-4-piperidinecarboxylic acid 2-(3-chlorophenoxy)ethyl ester IUPAC Name: 2-(3-chlorophenoxy)ethyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-carbethoxyphenyl)sulfonylisonipecotic acid 2-(3-chlorophenoxy)ethyl ester Formula: C23H26ClNO7S MolecularWeight: 495.97304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCCOC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCCOC3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H26ClNO7S/c1-2-30-22(26)17-6-8-21(9-7-17)33(28,29)25-12-10-18(11-13-25)23(27)32-15-14-31-20-5-3-4-19(24)16-20/h3-9,16,18H,2,10-15H2,1H3