N-[5-chloranyl-2-(4-ethoxyphenoxy)phenyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[5-chloranyl-2-(4-ethoxyphenoxy)phenyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-mesyl-isonipecotamide Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C21H25ClN2O5S/c1-3-28-17-5-7-18(8-6-17)29-20-9-4-16(22)14-19(20)23-21(25)15-10-12-24(13-11-15)30(2,26)27/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,25)