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

Systemtic Name: 2-methyl-N-[4-[2-(2-methyl-5-nitro-phenyl)sulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[4-[2-(2-methyl-5-nitro-phenyl)sulfonyl-3-(2-thienyl)-3,4-dihydropyrazol-5-yl]phenyl]-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[4-[2-(2-methyl-5-nitrophenyl)sulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[4-[2-(2-methyl-5-nitrophenyl)sulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]-5-nitrobenzenesulfonamide Traditional Name: 2-methyl-N-[4-[1-(2-methyl-5-nitro-phenyl)sulfonyl-5-(2-thienyl)-2-pyrazolin-3-yl]phenyl]-5-nitro-benzenesulfonamide Formula: C27H23N5O8S3 MolecularWeight: 641.69522

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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=CS4)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=CS4)S(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C

InChI

InChI=1S/C27H23N5O8S3/c1-17-5-11-21(31(33)34)14-26(17)42(37,38)29-20-9-7-19(8-10-20)23-16-24(25-4-3-13-41-25)30(28-23)43(39,40)27-15-22(32(35)36)12-6-18(27)2/h3-15,24,29H,16H2,1-2H3