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

Systemtic Name: 3-(4-ethanoylpiperazin-1-yl)sulfonyl-N-[3-(2-phenylethynyl)phenyl]benzamide Openeye Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[3-(2-phenylethynyl)phenyl]benzamide CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-[3-(2-phenylethynyl)phenyl]benzamide IUPAC Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[3-(2-phenylethynyl)phenyl]benzamide Traditional Name: 3-(4-acetylpiperazino)sulfonyl-N-[3-(2-phenylethynyl)phenyl]benzamide Formula: C27H25N3O4S MolecularWeight: 487.5701

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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=CC=C4

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O4S/c1-21(31)29-15-17-30(18-16-29)35(33,34)26-12-6-10-24(20-26)27(32)28-25-11-5-9-23(19-25)14-13-22-7-3-2-4-8-22/h2-12,19-20H,15-18H2,1H3,(H,28,32)