3-(4-ethanoylpiperazin-1-yl)sulfonyl-N-(3-ethynylphenyl)benzamide

Systemtic Name: 3-(4-ethanoylpiperazin-1-yl)sulfonyl-N-(3-ethynylphenyl)benzamide Openeye Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-ethynylphenyl)benzamide CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-(3-ethynylphenyl)benzamide IUPAC Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-ethynylphenyl)benzamide Traditional Name: 3-(4-acetylpiperazino)sulfonyl-N-(3-ethynylphenyl)benzamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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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#C

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-3-17-6-4-8-19(14-17)22-21(26)18-7-5-9-20(15-18)29(27,28)24-12-10-23(11-13-24)16(2)25/h1,4-9,14-15H,10-13H2,2H3,(H,22,26)