2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-3-methylbutan-2-yl]ethanamide

Systemtic Name: 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-3-methylbutan-2-yl]ethanamide Openeye Name: 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1,2-dimethylpropyl]acetamide CAS Name: 2-[4-(2-cyanophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2S)-3-methylbutan-2-yl]acetamide IUPAC Name: 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-3-methylbutan-2-yl]acetamide Traditional Name: 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1,2-dimethylpropyl]acetamide Formula: C18H27N4O3S+ MolecularWeight: 379.49698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

C[C@@H](C(C)C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

InChI

InChI=1S/C18H26N4O3S/c1-14(2)15(3)20-18(23)13-21-8-10-22(11-9-21)26(24,25)17-7-5-4-6-16(17)12-19/h4-7,14-15H,8-11,13H2,1-3H3,(H,20,23)/p+1/t15-/m0/s1