ethyl 4-[(2-chlorophenyl)methyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(2-chlorophenyl)methyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxylate Openeye Name: ethyl 4-[(2-chlorophenyl)methyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 4-[(2-chlorophenyl)methyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-chlorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 4-(2-chlorobenzyl)-1-(3-pyridylsulfonyl)isonipecotic acid ethyl ester Formula: C20H23ClN2O4S MolecularWeight: 422.92562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O4S/c1-2-27-19(24)20(14-16-6-3-4-8-18(16)21)9-12-23(13-10-20)28(25,26)17-7-5-11-22-15-17/h3-8,11,15H,2,9-10,12-14H2,1H3