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

Systemtic Name: 4-chloranyl-N-(3-ethylpent-1-yn-3-yl)-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-(1,1-diethylprop-2-ynyl)-3-morpholinosulfonyl-benzamide CAS Name: 4-chloro-N-(3-ethylpent-1-yn-3-yl)-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-(3-ethylpent-1-yn-3-yl)-3-morpholin-4-ylsulfonylbenzamide Traditional Name: 4-chloro-N-(1,1-diethylprop-2-ynyl)-3-morpholinosulfonyl-benzamide Formula: C18H23ClN2O4S MolecularWeight: 398.90422

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C18H23ClN2O4S/c1-4-18(5-2,6-3)20-17(22)14-7-8-15(19)16(13-14)26(23,24)21-9-11-25-12-10-21/h1,7-8,13H,5-6,9-12H2,2-3H3,(H,20,22)