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

Systemtic Name: N-[4-[3-(2-hydroxyphenyl)-2-(2-methyl-5-nitro-phenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[4-[3-(2-hydroxyphenyl)-2-(2-methyl-5-nitro-phenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[4-[3-(2-hydroxyphenyl)-2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[4-[3-(2-hydroxyphenyl)-2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[4-[5-(2-hydroxyphenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-2-pyrazolin-3-yl]phenyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C29H25N5O9S2 MolecularWeight: 651.6669

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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=C4O)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=C4O)S(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C

InChI

InChI=1S/C29H25N5O9S2/c1-18-7-13-22(33(36)37)15-28(18)44(40,41)31-21-11-9-20(10-12-21)25-17-26(24-5-3-4-6-27(24)35)32(30-25)45(42,43)29-16-23(34(38)39)14-8-19(29)2/h3-16,26,31,35H,17H2,1-2H3