2-methyl-5-piperidin-1-ylsulfonyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide

Systemtic Name: 2-methyl-5-piperidin-1-ylsulfonyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Openeye Name: 2-methyl-5-(1-piperidylsulfonyl)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]benzamide IUPAC Name: 2-methyl-5-piperidin-1-ylsulfonyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Traditional Name: 2-methyl-5-piperidinosulfonyl-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

InChI

InChI=1S/C26H25N3O3S/c1-20-11-14-24(33(31,32)29-16-5-2-6-17-29)19-25(20)26(30)28-23-10-7-8-21(18-23)12-13-22-9-3-4-15-27-22/h3-4,7-11,14-15,18-19H,2,5-6,16-17H2,1H3,(H,28,30)