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

Systemtic Name: 2-methyl-N-[4-[2-(2-methyl-5-nitro-phenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[4-[2-(2-methyl-5-nitro-phenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[4-[2-(2-methyl-5-nitrophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[4-[2-(2-methyl-5-nitrophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]-5-nitrobenzenesulfonamide Traditional Name: 2-methyl-N-[4-[1-(2-methyl-5-nitro-phenyl)sulfonyl-5-phenyl-2-pyrazolin-3-yl]phenyl]-5-nitro-benzenesulfonamide Formula: C29H25N5O8S2 MolecularWeight: 635.6675

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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)S(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C

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)S(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C

InChI

InChI=1S/C29H25N5O8S2/c1-19-8-14-24(33(35)36)16-28(19)43(39,40)31-23-12-10-21(11-13-23)26-18-27(22-6-4-3-5-7-22)32(30-26)44(41,42)29-17-25(34(37)38)15-9-20(29)2/h3-17,27,31H,18H2,1-2H3