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

Systemtic Name: ethyl 1-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylate CAS Name: 1-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dichlorobenzyl)-4-(4-methoxyphenyl)sulfonyl-isonipecotic acid ethyl ester Formula: C22H25Cl2NO5S MolecularWeight: 486.4086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25Cl2NO5S/c1-3-30-21(26)22(31(27,28)18-7-5-17(29-2)6-8-18)10-12-25(13-11-22)15-16-4-9-19(23)20(24)14-16/h4-9,14H,3,10-13,15H2,1-2H3