1-(2-cyanophenyl)sulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide

Systemtic Name: 1-(2-cyanophenyl)sulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Openeye Name: 1-(2-cyanophenyl)sulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide CAS Name: 1-(2-cyanophenyl)sulfonyl-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(2-cyanophenyl)sulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Traditional Name: 1-(2-cyanophenyl)sulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)isonipecotamide Formula: C22H33N4O3S+ MolecularWeight: 433.58742

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

InChI

InChI=1S/C22H32N4O3S/c1-21(2)13-18(14-22(3,4)25-21)24-20(27)16-9-11-26(12-10-16)30(28,29)19-8-6-5-7-17(19)15-23/h5-8,16,18,25H,9-14H2,1-4H3,(H,24,27)/p+1