N-[(4-chloranyl-2-methyl-pyrazol-3-yl)methyl]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[(4-chloranyl-2-methyl-pyrazol-3-yl)methyl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[(4-chloro-2-methyl-pyrazol-3-yl)methyl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: N-[(4-chloro-2-methyl-3-pyrazolyl)methyl]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[(4-chloro-2-methylpyrazol-3-yl)methyl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[(4-chloro-2-methyl-pyrazol-3-yl)methyl]-N-methyl-3-nitro-benzenesulfonamide Formula: C12H13ClN4O4S MolecularWeight: 344.77402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Cl)CN(C)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C(=C(C=N1)Cl)CN(C)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13ClN4O4S/c1-15(8-12-11(13)7-14-16(12)2)22(20,21)10-5-3-4-9(6-10)17(18)19/h3-7H,8H2,1-2H3