3-[2-[2,6-bis(bromanyl)-4-nitro-phenoxy]ethoxy]-5-methoxy-1-(4-methylphenyl)sulfonyl-indazole

Systemtic Name: 3-[2-[2,6-bis(bromanyl)-4-nitro-phenoxy]ethoxy]-5-methoxy-1-(4-methylphenyl)sulfonyl-indazole Openeye Name: 3-[2-(2,6-dibromo-4-nitro-phenoxy)ethoxy]-5-methoxy-1-(p-tolylsulfonyl)indazole CAS Name: 3-[2-(2,6-dibromo-4-nitrophenoxy)ethoxy]-5-methoxy-1-(4-methylphenyl)sulfonylindazole IUPAC Name: 3-[2-(2,6-dibromo-4-nitrophenoxy)ethoxy]-5-methoxy-1-(4-methylphenyl)sulfonylindazole Traditional Name: 3-[2-(2,6-dibromo-4-nitro-phenoxy)ethoxy]-5-methoxy-1-tosyl-indazole Formula: C23H19Br2N3O7S MolecularWeight: 641.28586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)OC)C(=N2)OCCOC4=C(C=C(C=C4Br)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)OC)C(=N2)OCCOC4=C(C=C(C=C4Br)[N+](=O)[O-])Br

InChI

InChI=1S/C23H19Br2N3O7S/c1-14-3-6-17(7-4-14)36(31,32)27-21-8-5-16(33-2)13-18(21)23(26-27)35-10-9-34-22-19(24)11-15(28(29)30)12-20(22)25/h3-8,11-13H,9-10H2,1-2H3