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

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C20H28N2O4S MolecularWeight: 392.51232

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O4S/c1-5-20(6-2,7-3)21-19(23)16-12-14-22(15-13-16)27(24,25)18-10-8-17(26-4)9-11-18/h1,8-11,16H,6-7,12-15H2,2-4H3,(H,21,23)