N-(3-ethylpent-1-yn-3-yl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-2-morpholino-5-(1-piperidylsulfonyl)benzamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-2-morpholino-5-piperidinosulfonyl-benzamide Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCOCC3

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCOCC3

InChI

InChI=1S/C23H33N3O4S/c1-4-23(5-2,6-3)24-22(27)20-18-19(31(28,29)26-12-8-7-9-13-26)10-11-21(20)25-14-16-30-17-15-25/h1,10-11,18H,5-9,12-17H2,2-3H3,(H,24,27)