ethyl 4-(4-butoxyphenyl)sulfonyl-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxylate CAS Name: 4-(4-butoxyphenyl)sulfonyl-1-[(3,4-dichlorophenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxylate Traditional Name: 4-(4-butoxyphenyl)sulfonyl-1-(3,4-dichlorobenzyl)isonipecotic acid ethyl ester Formula: C25H31Cl2NO5S MolecularWeight: 528.48834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC(=C(C=C3)Cl)Cl)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC(=C(C=C3)Cl)Cl)C(=O)OCC

InChI

InChI=1S/C25H31Cl2NO5S/c1-3-5-16-33-20-7-9-21(10-8-20)34(30,31)25(24(29)32-4-2)12-14-28(15-13-25)18-19-6-11-22(26)23(27)17-19/h6-11,17H,3-5,12-16,18H2,1-2H3