N-(2-pyridin-2-ylethyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-pyridin-2-ylethyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(2-pyridyl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(2-pyridinyl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-pyridin-2-ylethyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(2-pyridyl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-isonipecotamide Formula: C23H31N3O3S MolecularWeight: 429.57554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=CC=N3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=CC=N3)C)C

InChI

InChI=1S/C23H31N3O3S/c1-16-15-17(2)19(4)22(18(16)3)30(28,29)26-13-9-20(10-14-26)23(27)25-12-8-21-7-5-6-11-24-21/h5-7,11,15,20H,8-10,12-14H2,1-4H3,(H,25,27)