N-[2-(2,4-dimethylphenoxy)ethyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(2,4-dimethylphenoxy)ethyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(2,4-dimethylphenoxy)ethyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(2,4-dimethylphenoxy)ethyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(2,4-dimethylphenoxy)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(2,4-dimethylphenoxy)ethyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)C

InChI

InChI=1S/C21H27N3O4S/c1-16-5-6-20(17(2)14-16)28-13-10-23-21(25)18-7-11-24(12-8-18)29(26,27)19-4-3-9-22-15-19/h3-6,9,14-15,18H,7-8,10-13H2,1-2H3,(H,23,25)