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

Systemtic Name: N-[4-[3-(4-methoxyphenyl)-2-(2-methyl-5-nitro-phenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[4-[3-(4-methoxyphenyl)-2-(2-methyl-5-nitro-phenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[4-[3-(4-methoxyphenyl)-2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[4-[3-(4-methoxyphenyl)-2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[4-[5-(4-methoxyphenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-2-pyrazolin-3-yl]phenyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C30H27N5O9S2 MolecularWeight: 665.69348

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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=C(C=C4)OC)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=C(C=C4)OC)S(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C

InChI

InChI=1S/C30H27N5O9S2/c1-19-4-12-24(34(36)37)16-29(19)45(40,41)32-23-10-6-21(7-11-23)27-18-28(22-8-14-26(44-3)15-9-22)33(31-27)46(42,43)30-17-25(35(38)39)13-5-20(30)2/h4-17,28,32H,18H2,1-3H3