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

Systemtic Name: N-[3-(2-phenylethynyl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-[3-(2-phenylethynyl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-[3-(2-phenylethynyl)phenyl]-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-[3-(2-phenylethynyl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-[3-(2-phenylethynyl)phenyl]-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C24H22N2O4S2 MolecularWeight: 466.57248

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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=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C24H22N2O4S2/c27-31(28,23-13-15-24(16-14-23)32(29,30)26-17-4-5-18-26)25-22-10-6-9-21(19-22)12-11-20-7-2-1-3-8-20/h1-3,6-10,13-16,19,25H,4-5,17-18H2