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

Systemtic Name: 4-morpholin-4-ylsulfonyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide Openeye Name: 4-morpholinosulfonyl-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzenesulfonamide CAS Name: 4-(4-morpholinylsulfonyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide IUPAC Name: 4-morpholin-4-ylsulfonyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide Traditional Name: 4-morpholinosulfonyl-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzenesulfonamide Formula: C22H20N2O5S3 MolecularWeight: 488.5996

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C22H20N2O5S3/c25-31(26,23-19-4-1-3-18(17-19)6-7-20-5-2-16-30-20)21-8-10-22(11-9-21)32(27,28)24-12-14-29-15-13-24/h1-5,8-11,16-17,23H,12-15H2