2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-ium-1-yl]-N-butyl-ethanamide

Systemtic Name: 2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-ium-1-yl]-N-butyl-ethanamide Openeye Name: N-butyl-2-[4-[4-[(1R)-1-methylpropyl]phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-1-piperazin-1-iumyl]-N-butylacetamide IUPAC Name: 2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-ium-1-yl]-N-butylacetamide Traditional Name: N-butyl-2-[4-[4-[(1R)-1-methylpropyl]phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H34N3O3S+ MolecularWeight: 396.56726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O3S/c1-4-6-11-21-20(24)16-22-12-14-23(15-13-22)27(25,26)19-9-7-18(8-10-19)17(3)5-2/h7-10,17H,4-6,11-16H2,1-3H3,(H,21,24)/p+1/t17-/m1/s1