[3-[(1S)-1-azaniumylethyl]phenyl]sulfonyl-(2-propan-2-ylpyrazol-3-yl)azanide

Systemtic Name: [3-[(1S)-1-azaniumylethyl]phenyl]sulfonyl-(2-propan-2-ylpyrazol-3-yl)azanide Openeye Name: [3-[(1S)-1-azaniumylethyl]phenyl]sulfonyl-(2-isopropylpyrazol-3-yl)azanide CAS Name: [3-[(1S)-1-ammonioethyl]phenyl]sulfonyl-(2-propan-2-yl-3-pyrazolyl)azanide IUPAC Name: [3-[(1S)-1-azaniumylethyl]phenyl]sulfonyl-(2-propan-2-ylpyrazol-3-yl)azanide Traditional Name: [3-[(1S)-1-ammonioethyl]phenyl]sulfonyl-(2-isopropylpyrazol-3-yl)azanide Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)[N-]S(=O)(=O)C2=CC=CC(=C2)C(C)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)S(=O)(=O)[N-]C2=CC=NN2C(C)C)[NH3+]

InChI

InChI=1S/C14H19N4O2S/c1-10(2)18-14(7-8-16-18)17-21(19,20)13-6-4-5-12(9-13)11(3)15/h4-11H,15H2,1-3H3/q-1/p+1/t11-/m0/s1