4-(2-phenylethynyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

Systemtic Name: 4-(2-phenylethynyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide Openeye Name: 4-(2-phenylethynyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide CAS Name: 4-(2-phenylethynyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide IUPAC Name: 4-(2-phenylethynyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide Traditional Name: 4-(2-phenylethynyl)-N-(4-pyrrolidinosulfonylphenyl)benzamide Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O3S/c28-25(22-12-10-21(11-13-22)9-8-20-6-2-1-3-7-20)26-23-14-16-24(17-15-23)31(29,30)27-18-4-5-19-27/h1-3,6-7,10-17H,4-5,18-19H2,(H,26,28)