N-[4-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[(2S)-butan-2-yl]-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Formula: C16H26N3O3S+ MolecularWeight: 340.46094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O3S/c1-4-13(2)18-9-11-19(12-10-18)23(21,22)16-7-5-15(6-8-16)17-14(3)20/h5-8,13H,4,9-12H2,1-3H3,(H,17,20)/p+1/t13-/m0/s1