N-[(4-bromanyl-1-ethyl-pyrazol-3-yl)methyl]-N-methyl-4-nitro-benzenesulfonamide

Systemtic Name: N-[(4-bromanyl-1-ethyl-pyrazol-3-yl)methyl]-N-methyl-4-nitro-benzenesulfonamide Openeye Name: N-[(4-bromo-1-ethyl-pyrazol-3-yl)methyl]-N-methyl-4-nitro-benzenesulfonamide CAS Name: N-[(4-bromo-1-ethyl-3-pyrazolyl)methyl]-N-methyl-4-nitrobenzenesulfonamide IUPAC Name: N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-4-nitrobenzenesulfonamide Traditional Name: N-[(4-bromo-1-ethyl-pyrazol-3-yl)methyl]-N-methyl-4-nitro-benzenesulfonamide Formula: C13H15BrN4O4S MolecularWeight: 403.2516

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)CN(C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CCN1C=C(C(=N1)CN(C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C13H15BrN4O4S/c1-3-17-8-12(14)13(15-17)9-16(2)23(21,22)11-6-4-10(5-7-11)18(19)20/h4-8H,3,9H2,1-2H3