N-[3-(2-pyridin-2-ylethynyl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3-(2-pyridin-2-ylethynyl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-[2-(2-pyridyl)ethynyl]phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[3-(2-pyridin-2-ylethynyl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[3-[2-(2-pyridyl)ethynyl]phenyl]-4-pyrrolidinosulfonyl-benzamide Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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