N-[2-[(2S)-butan-2-yl]-1H-pyrazol-2-ium-3-yl]-4-tert-butyl-benzenesulfonamide

Systemtic Name: N-[2-[(2S)-butan-2-yl]-1H-pyrazol-2-ium-3-yl]-4-tert-butyl-benzenesulfonamide Openeye Name: 4-tert-butyl-N-[2-[(1S)-1-methylpropyl]-1H-pyrazol-2-ium-3-yl]benzenesulfonamide CAS Name: N-[2-[(2S)-butan-2-yl]-1H-pyrazol-2-ium-3-yl]-4-tert-butylbenzenesulfonamide IUPAC Name: N-[2-[(2S)-butan-2-yl]-1H-pyrazol-2-ium-3-yl]-4-tert-butylbenzenesulfonamide Traditional Name: 4-tert-butyl-N-[2-[(1S)-1-methylpropyl]-1H-pyrazol-2-ium-3-yl]benzenesulfonamide Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[N+]1=C(C=CN1)NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC[C@H](C)[N+]1=C(C=CN1)NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C17H25N3O2S/c1-6-13(2)20-16(11-12-18-20)19-23(21,22)15-9-7-14(8-10-15)17(3,4)5/h7-13H,6H2,1-5H3,(H,18,19)/p+1/t13-/m0/s1