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

Systemtic Name: N-[4-[3-(3-ethoxy-4-oxidanyl-phenyl)-2-(2-methyl-5-nitro-phenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[4-[3-(3-ethoxy-4-hydroxy-phenyl)-2-(2-methyl-5-nitro-phenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[4-[3-(3-ethoxy-4-hydroxyphenyl)-2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[4-[3-(3-ethoxy-4-hydroxyphenyl)-2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[4-[5-(3-ethoxy-4-hydroxy-phenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-2-pyrazolin-3-yl]phenyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C31H29N5O10S2 MolecularWeight: 695.71946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2CC(=NN2S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C)C4=CC=C(C=C4)NS(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2CC(=NN2S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C)C4=CC=C(C=C4)NS(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C)O

InChI

InChI=1S/C31H29N5O10S2/c1-4-46-29-15-22(9-14-28(29)37)27-18-26(32-34(27)48(44,45)31-17-25(36(40)41)13-6-20(31)3)21-7-10-23(11-8-21)33-47(42,43)30-16-24(35(38)39)12-5-19(30)2/h5-17,27,33,37H,4,18H2,1-3H3