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

Systemtic Name: 4-chloranyl-N-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-phenyl-propyl]benzenesulfonamide Openeye Name: 4-chloro-N-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-phenyl-propyl]benzenesulfonamide CAS Name: 4-chloro-N-[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-phenylpropyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-phenylpropyl]benzenesulfonamide Traditional Name: 4-chloro-N-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-phenyl-propyl]benzenesulfonamide Formula: C20H21ClN4O4S MolecularWeight: 448.92314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O4S/c1-14-20(25(26)27)15(2)24(22-14)13-12-19(16-6-4-3-5-7-16)23-30(28,29)18-10-8-17(21)9-11-18/h3-11,19,23H,12-13H2,1-2H3