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

Systemtic Name: N-ethyl-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-nitro-benzenesulfonamide Openeye Name: N-ethyl-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-nitro-benzenesulfonamide CAS Name: N-ethyl-N-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-3-nitrobenzenesulfonamide IUPAC Name: N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-nitrobenzenesulfonamide Traditional Name: N-ethyl-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-nitro-benzenesulfonamide Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O4S/c1-5-18(11-16-12(3)17-19(6-2)13(16)4)25(23,24)15-9-7-8-14(10-15)20(21)22/h7-10H,5-6,11H2,1-4H3