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

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-(3-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(3-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[4-(3-cyanophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[4-(3-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(3-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide Formula: C17H25N4O3S+ MolecularWeight: 365.4704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O3S/c1-3-14(2)19-17(22)13-20-7-9-21(10-8-20)25(23,24)16-6-4-5-15(11-16)12-18/h4-6,11,14H,3,7-10,13H2,1-2H3,(H,19,22)/p+1/t14-/m0/s1