N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[[6-(2,5-dimethylphenoxy)-3-pyridyl]methyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[[6-(2,5-dimethylphenoxy)-3-pyridyl]methyl]isonipecotamide Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=NC=C(C=C2)CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=NC=C(C=C2)CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4S/c1-19-8-9-20(2)24(16-19)33-25-11-10-21(17-27-25)18-28-26(30)22-12-14-29(15-13-22)34(31,32)23-6-4-3-5-7-23/h3-11,16-17,22H,12-15,18H2,1-2H3,(H,28,30)