4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-N,N-dimethyl-piperazine-1-sulfonamide

Systemtic Name: 4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-N,N-dimethyl-piperazine-1-sulfonamide Openeye Name: 4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-N,N-dimethyl-piperazine-1-sulfonamide CAS Name: 4-[3-(3,5-dimethyl-1-pyrazolyl)-4-nitrophenyl]-N,N-dimethyl-1-piperazinesulfonamide IUPAC Name: 4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]-N,N-dimethylpiperazine-1-sulfonamide Traditional Name: 4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-N,N-dimethyl-piperazine-1-sulfonamide Formula: C17H24N6O4S MolecularWeight: 408.47526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)N(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)N(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H24N6O4S/c1-13-11-14(2)22(18-13)17-12-15(5-6-16(17)23(24)25)20-7-9-21(10-8-20)28(26,27)19(3)4/h5-6,11-12H,7-10H2,1-4H3