1-(4-cyanophenyl)sulfonyl-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-cyanophenyl)sulfonyl-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-(4-cyanophenyl)sulfonyl-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-(4-cyanophenyl)sulfonyl-N-[[3-(methoxymethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-cyanophenyl)sulfonyl-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-(4-cyanophenyl)sulfonyl-N-[3-(methoxymethyl)benzyl]isonipecotamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=CC(=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

COCC1=CC=CC(=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H25N3O4S/c1-29-16-19-4-2-3-18(13-19)15-24-22(26)20-9-11-25(12-10-20)30(27,28)21-7-5-17(14-23)6-8-21/h2-8,13,20H,9-12,15-16H2,1H3,(H,24,26)