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

Systemtic Name: N-[4-[3-(3-ethoxy-4-oxidanyl-phenyl)-2-(phenylcarbonyl)-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[4-[2-benzoyl-3-(3-ethoxy-4-hydroxy-phenyl)-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[4-[2-benzoyl-3-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[4-[2-benzoyl-3-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[4-[1-benzoyl-5-(3-ethoxy-4-hydroxy-phenyl)-2-pyrazolin-3-yl]phenyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C31H28N4O7S MolecularWeight: 600.64162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2CC(=NN2C(=O)C3=CC=CC=C3)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(=NN2C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)NS(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C)O

InChI

InChI=1S/C31H28N4O7S/c1-3-42-29-17-23(12-16-28(29)36)27-19-26(32-34(27)31(37)22-7-5-4-6-8-22)21-10-13-24(14-11-21)33-43(40,41)30-18-25(35(38)39)15-9-20(30)2/h4-18,27,33,36H,3,19H2,1-2H3