4-[4-(2-chloranyl-5-nitro-phenyl)-3,5-dimethyl-pyrazol-1-yl]benzenesulfonamide

Systemtic Name: 4-[4-(2-chloranyl-5-nitro-phenyl)-3,5-dimethyl-pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[4-(2-chloro-5-nitro-phenyl)-3,5-dimethyl-pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[4-(2-chloro-5-nitrophenyl)-3,5-dimethyl-1-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[4-(2-chloro-5-nitrophenyl)-3,5-dimethylpyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[4-(2-chloro-5-nitro-phenyl)-3,5-dimethyl-pyrazol-1-yl]benzenesulfonamide Formula: C17H15ClN4O4S MolecularWeight: 406.8434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)S(=O)(=O)N)C)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)S(=O)(=O)N)C)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H15ClN4O4S/c1-10-17(15-9-13(22(23)24)5-8-16(15)18)11(2)21(20-10)12-3-6-14(7-4-12)27(19,25)26/h3-9H,1-2H3,(H2,19,25,26)