N-(1-cyanocycloheptyl)-2-[4-(phenylsulfonylamino)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-cyanocycloheptyl)-2-[4-(phenylsulfonylamino)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonamido)piperidin-1-ium-1-yl]-N-(1-cyanocycloheptyl)acetamide CAS Name: 2-[4-(benzenesulfonamido)-1-piperidin-1-iumyl]-N-(1-cyanocycloheptyl)acetamide IUPAC Name: 2-[4-(benzenesulfonamido)piperidin-1-ium-1-yl]-N-(1-cyanocycloheptyl)acetamide Traditional Name: 2-[4-(benzenesulfonamido)piperidin-1-ium-1-yl]-N-(1-cyanocycloheptyl)acetamide Formula: C21H31N4O3S+ MolecularWeight: 419.56084

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#N)NC(=O)C[NH+]2CCC(CC2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCC(CC1)(C#N)NC(=O)C[NH+]2CCC(CC2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H30N4O3S/c22-17-21(12-6-1-2-7-13-21)23-20(26)16-25-14-10-18(11-15-25)24-29(27,28)19-8-4-3-5-9-19/h3-5,8-9,18,24H,1-2,6-7,10-16H2,(H,23,26)/p+1