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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(3-ethylpent-1-yn-3-yl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(1,1-diethylprop-2-ynyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(3-ethylpent-1-yn-3-yl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(3-ethylpent-1-yn-3-yl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(1,1-diethylprop-2-ynyl)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)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

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