N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-4-(2-phenylethynyl)benzamide

Systemtic Name: N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-4-(2-phenylethynyl)benzamide Openeye Name: N-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-4-(2-phenylethynyl)benzamide CAS Name: N-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]-4-(2-phenylethynyl)benzamide IUPAC Name: N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-(2-phenylethynyl)benzamide Traditional Name: N-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)-4-(2-phenylethynyl)benzamide Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O4S/c28-24-15-14-22(32(30,31)27-16-4-5-17-27)18-23(24)26-25(29)21-12-10-20(11-13-21)9-8-19-6-2-1-3-7-19/h1-3,6-7,10-15,18,28H,4-5,16-17H2,(H,26,29)