N-[5-chloranyl-2-(4-methylphenoxy)phenyl]-1-ethylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[5-chloranyl-2-(4-methylphenoxy)phenyl]-1-ethylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[5-chloro-2-(4-methylphenoxy)phenyl]-1-ethylsulfonyl-piperidine-4-carboxamide CAS Name: N-[5-chloro-2-(4-methylphenoxy)phenyl]-1-ethylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[5-chloro-2-(4-methylphenoxy)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: N-[5-chloro-2-(4-methylphenoxy)phenyl]-1-esyl-isonipecotamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=C(C=C3)C

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=C(C=C3)C

InChI

InChI=1S/C21H25ClN2O4S/c1-3-29(26,27)24-12-10-16(11-13-24)21(25)23-19-14-17(22)6-9-20(19)28-18-7-4-15(2)5-8-18/h4-9,14,16H,3,10-13H2,1-2H3,(H,23,25)