N-[3-(2-pyridin-2-ylethynyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(2-pyridin-2-ylethynyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-[2-(2-pyridyl)ethynyl]phenyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(2-pyridin-2-ylethynyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-mesitylsulfonyl-N-[3-[2-(2-pyridyl)ethynyl]phenyl]isonipecotamide Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4)C

InChI

InChI=1S/C28H29N3O3S/c1-20-17-21(2)27(22(3)18-20)35(33,34)31-15-12-24(13-16-31)28(32)30-26-9-6-7-23(19-26)10-11-25-8-4-5-14-29-25/h4-9,14,17-19,24H,12-13,15-16H2,1-3H3,(H,30,32)