(2S)-N-(1-adamantyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(1-adamantyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(1-adamantyl)-2-[4-(2-thienylsulfonylamino)piperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(1-adamantyl)-2-[4-(thiophen-2-ylsulfonylamino)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(1-adamantyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(1-adamantyl)-2-[4-(2-thienylsulfonylamino)piperidin-1-ium-1-yl]propionamide Formula: C22H34N3O3S2+ MolecularWeight: 452.65366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCC(CC4)NS(=O)(=O)C5=CC=CS5

Isomeric SMILES

C[C@@H](C(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCC(CC4)NS(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C22H33N3O3S2/c1-15(21(26)23-22-12-16-9-17(13-22)11-18(10-16)14-22)25-6-4-19(5-7-25)24-30(27,28)20-3-2-8-29-20/h2-3,8,15-19,24H,4-7,9-14H2,1H3,(H,23,26)/p+1/t15-,16?,17?,18?,22?/m0/s1