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

Systemtic Name: 2-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-butan-2-yl]ethanamide Openeye Name: 2-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: 2-[4-(4-acetamidophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2S)-butan-2-yl]acetamide IUPAC Name: 2-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-butan-2-yl]acetamide Traditional Name: 2-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O4S/c1-4-14(2)19-18(24)13-21-9-11-22(12-10-21)27(25,26)17-7-5-16(6-8-17)20-15(3)23/h5-8,14H,4,9-13H2,1-3H3,(H,19,24)(H,20,23)/p+1/t14-/m0/s1