3-[4-(4-fluorophenyl)-4-oxidanylidene-butoxy]-5-methoxy-1-(4-methylphenyl)indazole-4-sulfinic acid

Systemtic Name: 3-[4-(4-fluorophenyl)-4-oxidanylidene-butoxy]-5-methoxy-1-(4-methylphenyl)indazole-4-sulfinic acid Openeye Name: 3-[4-(4-fluorophenyl)-4-oxo-butoxy]-5-methoxy-1-(p-tolyl)indazole-4-sulfinic acid CAS Name: 3-[4-(4-fluorophenyl)-4-oxobutoxy]-5-methoxy-1-(4-methylphenyl)-4-indazolesulfinic acid IUPAC Name: 3-[4-(4-fluorophenyl)-4-oxobutoxy]-5-methoxy-1-(4-methylphenyl)indazole-4-sulfinic acid Traditional Name: 3-[4-(4-fluorophenyl)-4-keto-butoxy]-5-methoxy-1-(p-tolyl)indazole-4-sulfinic acid Formula: C25H23FN2O5S MolecularWeight: 482.523923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=C(C=C3)OC)S(=O)O)C(=N2)OCCCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=C(C=C3)OC)S(=O)O)C(=N2)OCCCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H23FN2O5S/c1-16-5-11-19(12-6-16)28-20-13-14-22(32-2)24(34(30)31)23(20)25(27-28)33-15-3-4-21(29)17-7-9-18(26)10-8-17/h5-14H,3-4,15H2,1-2H3,(H,30,31)