4-pyrrolidin-1-ylsulfonyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide

Systemtic Name: 4-pyrrolidin-1-ylsulfonyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide Openeye Name: 4-pyrrolidin-1-ylsulfonyl-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzenesulfonamide CAS Name: 4-(1-pyrrolidinylsulfonyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide IUPAC Name: 4-pyrrolidin-1-ylsulfonyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide Traditional Name: 4-pyrrolidinosulfonyl-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzenesulfonamide Formula: C22H20N2O4S3 MolecularWeight: 472.6002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C22H20N2O4S3/c25-30(26,21-10-12-22(13-11-21)31(27,28)24-14-1-2-15-24)23-19-6-3-5-18(17-19)8-9-20-7-4-16-29-20/h3-7,10-13,16-17,23H,1-2,14-15H2