1-[(2-chlorophenyl)methylsulfonyl]-N-(2,4-dimethoxyphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(2-chlorophenyl)methylsulfonyl]-N-(2,4-dimethoxyphenyl)piperidine-4-carboxamide Openeye Name: 1-[(2-chlorophenyl)methylsulfonyl]-N-(2,4-dimethoxyphenyl)piperidine-4-carboxamide CAS Name: 1-[(2-chlorophenyl)methylsulfonyl]-N-(2,4-dimethoxyphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(2-chlorophenyl)methylsulfonyl]-N-(2,4-dimethoxyphenyl)piperidine-4-carboxamide Traditional Name: 1-(2-chlorobenzyl)sulfonyl-N-(2,4-dimethoxyphenyl)isonipecotamide Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3Cl)OC

InChI

InChI=1S/C21H25ClN2O5S/c1-28-17-7-8-19(20(13-17)29-2)23-21(25)15-9-11-24(12-10-15)30(26,27)14-16-5-3-4-6-18(16)22/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,25)