N-[(2S)-butan-2-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanesulfonamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanesulfonamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[(1S)-1-methylpropyl]ethanesulfonamide CAS Name: N-[(2S)-butan-2-yl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethanesulfonamide IUPAC Name: N-[(2S)-butan-2-yl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanesulfonamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[(1S)-1-methylpropyl]ethanesulfonamide Formula: C11H20N4O4S MolecularWeight: 304.3659

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)CCN1C(=C(C(=N1)C)[N+](=O)[O-])C

Isomeric SMILES

CC[C@H](C)NS(=O)(=O)CCN1C(=C(C(=N1)C)[N+](=O)[O-])C

InChI

InChI=1S/C11H20N4O4S/c1-5-8(2)13-20(18,19)7-6-14-10(4)11(15(16)17)9(3)12-14/h8,13H,5-7H2,1-4H3/t8-/m0/s1