ethyl 4-[(2-chlorophenyl)methyl]-1-(4-methylthiophen-2-yl)sulfonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(2-chlorophenyl)methyl]-1-(4-methylthiophen-2-yl)sulfonyl-piperidine-4-carboxylate Openeye Name: ethyl 4-[(2-chlorophenyl)methyl]-1-[(4-methyl-2-thienyl)sulfonyl]piperidine-4-carboxylate CAS Name: 4-[(2-chlorophenyl)methyl]-1-[(4-methyl-2-thiophenyl)sulfonyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-chlorophenyl)methyl]-1-(4-methylthiophen-2-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 4-(2-chlorobenzyl)-1-[(4-methyl-2-thienyl)sulfonyl]isonipecotic acid ethyl ester Formula: C20H24ClNO4S2 MolecularWeight: 441.99186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC(=CS2)C)CC3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC(=CS2)C)CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H24ClNO4S2/c1-3-26-19(23)20(13-16-6-4-5-7-17(16)21)8-10-22(11-9-20)28(24,25)18-12-15(2)14-27-18/h4-7,12,14H,3,8-11,13H2,1-2H3