N-(3-ethylpent-1-yn-3-yl)-4-methyl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-4-methyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-4-methyl-3-(1-piperidylsulfonyl)benzamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-4-methyl-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-4-methyl-3-piperidinosulfonyl-benzamide Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C1=CC(=C(C=C1)C)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C1=CC(=C(C=C1)C)S(=O)(=O)N2CCCCC2

InChI

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