1,5-dimethyl-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]pyrazole-4-sulfonamide

Systemtic Name: 1,5-dimethyl-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]pyrazole-4-sulfonamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-1,5-dimethyl-pyrazole-4-sulfonamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1,5-dimethyl-4-pyrazolesulfonamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1,5-dimethylpyrazole-4-sulfonamide Traditional Name: N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-1,5-dimethyl-pyrazole-4-sulfonamide Formula: C14H18N4O6S MolecularWeight: 370.38092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)S(=O)(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C=NN1C)S(=O)(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H18N4O6S/c1-9-13(7-15-17(9)2)25(23,24)16-12(8-19)14(20)10-3-5-11(6-4-10)18(21)22/h3-7,12,14,16,19-20H,8H2,1-2H3