(2R)-N-(4-cyanophenyl)-2-[4-(methylsulfonylamino)piperidin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(4-cyanophenyl)-2-[4-(methylsulfonylamino)piperidin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(4-cyanophenyl)-2-[4-(methanesulfonamido)piperidin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(4-cyanophenyl)-2-[4-(methanesulfonamido)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2R)-N-(4-cyanophenyl)-2-[4-(methanesulfonamido)piperidin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(4-cyanophenyl)-2-[4-(methanesulfonamido)piperidin-1-ium-1-yl]propionamide Formula: C16H23N4O3S+ MolecularWeight: 351.44382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)[NH+]2CCC(CC2)NS(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)[NH+]2CCC(CC2)NS(=O)(=O)C

InChI

InChI=1S/C16H22N4O3S/c1-12(16(21)18-14-5-3-13(11-17)4-6-14)20-9-7-15(8-10-20)19-24(2,22)23/h3-6,12,15,19H,7-10H2,1-2H3,(H,18,21)/p+1/t12-/m1/s1