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

Systemtic Name: N-(5-morpholin-4-ylsulfonyl-2-oxidanyl-phenyl)-4-(2-phenylethynyl)benzamide Openeye Name: N-(2-hydroxy-5-morpholinosulfonyl-phenyl)-4-(2-phenylethynyl)benzamide CAS Name: N-[2-hydroxy-5-(4-morpholinylsulfonyl)phenyl]-4-(2-phenylethynyl)benzamide IUPAC Name: N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)-4-(2-phenylethynyl)benzamide Traditional Name: N-(2-hydroxy-5-morpholinosulfonyl-phenyl)-4-(2-phenylethynyl)benzamide Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O5S/c28-24-13-12-22(33(30,31)27-14-16-32-17-15-27)18-23(24)26-25(29)21-10-8-20(9-11-21)7-6-19-4-2-1-3-5-19/h1-5,8-13,18,28H,14-17H2,(H,26,29)