N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-3-nitro-benzenesulfonamide CAS Name: N-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-3-nitro-benzenesulfonamide Formula: C14H17BrN4O4S MolecularWeight: 417.27818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=C(C(=NN1CCCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C)Br

InChI

InChI=1S/C14H17BrN4O4S/c1-10-14(15)11(2)18(17-10)8-4-7-16-24(22,23)13-6-3-5-12(9-13)19(20)21/h3,5-6,9,16H,4,7-8H2,1-2H3