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

Systemtic Name: 3-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-ium-1-yl]propanoate Openeye Name: 3-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-1-piperazin-1-iumyl]propanoate IUPAC Name: 3-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-ium-1-yl]propionate Formula: C17H26N2O4S MolecularWeight: 354.46434

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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)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O4S/c1-3-14(2)15-4-6-16(7-5-15)24(22,23)19-12-10-18(11-13-19)9-8-17(20)21/h4-7,14H,3,8-13H2,1-2H3,(H,20,21)/t14-/m0/s1