2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-ethylpent-1-yn-3-yl)ethanamide

Systemtic Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-ethylpent-1-yn-3-yl)ethanamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-N-(3-ethylpent-1-yn-3-yl)acetamide IUPAC Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazino]acetamide Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C)C

Isomeric SMILES

CCC(CC)(C#C)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C)C

InChI

InChI=1S/C21H31N3O3S/c1-6-21(7-2,8-3)22-20(25)16-23-11-13-24(14-12-23)28(26,27)19-15-17(4)9-10-18(19)5/h1,9-10,15H,7-8,11-14,16H2,2-5H3,(H,22,25)