3-(4-ethanoylpiperazin-1-yl)sulfonyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide

Systemtic Name: 3-(4-ethanoylpiperazin-1-yl)sulfonyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide Openeye Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzamide CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide IUPAC Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide Traditional Name: 3-(4-acetylpiperazino)sulfonyl-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzamide Formula: C25H23N3O4S2 MolecularWeight: 493.59782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C25H23N3O4S2/c1-19(29)27-12-14-28(15-13-27)34(31,32)24-9-3-6-21(18-24)25(30)26-22-7-2-5-20(17-22)10-11-23-8-4-16-33-23/h2-9,16-18H,12-15H2,1H3,(H,26,30)