N-[3-(2-pyridin-2-ylethynyl)phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3-(2-pyridin-2-ylethynyl)phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-[2-(2-pyridyl)ethynyl]phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[3-(2-pyridin-2-ylethynyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[3-[2-(2-pyridyl)ethynyl]phenyl]-3-pyrrolidinosulfonyl-benzamide Formula: C24H21N3O3S MolecularWeight: 431.50684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

InChI

InChI=1S/C24H21N3O3S/c28-24(20-8-6-11-23(18-20)31(29,30)27-15-3-4-16-27)26-22-10-5-7-19(17-22)12-13-21-9-1-2-14-25-21/h1-2,5-11,14,17-18H,3-4,15-16H2,(H,26,28)