N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-nitro-benzenesulfonamide Openeye Name: N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-nitro-benzenesulfonamide CAS Name: N-[1-(1,3-dimethyl-4-pyrazolyl)ethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-nitrobenzenesulfonamide Traditional Name: N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-nitro-benzenesulfonamide Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(C)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C=C1C(C)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H16N4O4S/c1-9-13(8-16(3)14-9)10(2)15-22(20,21)12-6-4-5-11(7-12)17(18)19/h4-8,10,15H,1-3H3