N-(2-cyanoethyl)-2-[(3S)-3-(methylsulfonylamino)piperidin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[(3S)-3-(methylsulfonylamino)piperidin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(3S)-3-(methanesulfonamido)piperidin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(3S)-3-(methanesulfonamido)-1-piperidin-1-iumyl]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[(3S)-3-(methanesulfonamido)piperidin-1-ium-1-yl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(3S)-3-(methanesulfonamido)piperidin-1-ium-1-yl]-N-phenyl-acetamide Formula: C17H25N4O3S+ MolecularWeight: 365.4704

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1CCC[NH+](C1)CC(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)N[C@H]1CCC[NH+](C1)CC(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C17H24N4O3S/c1-25(23,24)19-15-7-5-11-20(13-15)14-17(22)21(12-6-10-18)16-8-3-2-4-9-16/h2-4,8-9,15,19H,5-7,11-14H2,1H3/p+1/t15-/m0/s1