N-(3-ethylpent-1-yn-3-yl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-1-tosyl-isonipecotamide Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H28N2O3S/c1-5-20(6-2,7-3)21-19(23)17-12-14-22(15-13-17)26(24,25)18-10-8-16(4)9-11-18/h1,8-11,17H,6-7,12-15H2,2-4H3,(H,21,23)