3-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: 3-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: 3-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: 3-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: 3-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: 3-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C17H28N3O3S+ MolecularWeight: 354.48752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O3S/c1-3-14(2)15-4-6-16(7-5-15)24(22,23)20-12-10-19(11-13-20)9-8-17(18)21/h4-7,14H,3,8-13H2,1-2H3,(H2,18,21)/p+1/t14-/m0/s1