2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-ium-1-yl]-N-(2-cyanopropan-2-yl)-N-methyl-ethanamide

Systemtic Name: 2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-ium-1-yl]-N-(2-cyanopropan-2-yl)-N-methyl-ethanamide Openeye Name: N-(1-cyano-1-methyl-ethyl)-N-methyl-2-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-1-piperazin-1-iumyl]-N-(2-cyanopropan-2-yl)-N-methylacetamide IUPAC Name: 2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-ium-1-yl]-N-(2-cyanopropan-2-yl)-N-methylacetamide Traditional Name: N-(1-cyano-1-methyl-ethyl)-N-methyl-2-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C21H33N4O3S+ MolecularWeight: 421.57672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(C)C(C)(C)C#N

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(C)C(C)(C)C#N

InChI

InChI=1S/C21H32N4O3S/c1-6-17(2)18-7-9-19(10-8-18)29(27,28)25-13-11-24(12-14-25)15-20(26)23(5)21(3,4)16-22/h7-10,17H,6,11-15H2,1-5H3/p+1/t17-/m0/s1