N-[4-[2-(2,4-dinitrophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[4-[2-(2,4-dinitrophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[4-[2-(2,4-dinitrophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[4-[2-(2,4-dinitrophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[4-[2-(2,4-dinitrophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[4-[1-(2,4-dinitrophenyl)-5-phenyl-2-pyrazolin-3-yl]phenyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C28H22N6O8S MolecularWeight: 602.57468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=CC=CC=C4)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=CC=CC=C4)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C28H22N6O8S/c1-18-7-12-23(33(37)38)16-28(18)43(41,42)30-21-10-8-19(9-11-21)24-17-26(20-5-3-2-4-6-20)31(29-24)25-14-13-22(32(35)36)15-27(25)34(39)40/h2-16,26,30H,17H2,1H3