N-(3-oxidanylpyridin-2-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-oxidanylpyridin-2-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-hydroxy-2-pyridyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-hydroxy-2-pyridinyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-hydroxypyridin-2-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-hydroxy-2-pyridyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-isonipecotamide Formula: C21H27N3O4S MolecularWeight: 417.52178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC=N3)O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC=N3)O)C)C

InChI

InChI=1S/C21H27N3O4S/c1-13-12-14(2)16(4)19(15(13)3)29(27,28)24-10-7-17(8-11-24)21(26)23-20-18(25)6-5-9-22-20/h5-6,9,12,17,25H,7-8,10-11H2,1-4H3,(H,22,23,26)