3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonyl-4,6-dinitro-indole

Systemtic Name: 3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonyl-4,6-dinitro-indole Openeye Name: 3-[(4-fluorophenyl)methyl]-4,6-dinitro-1-(p-tolylsulfonyl)indole CAS Name: 3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonyl-4,6-dinitroindole IUPAC Name: 3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonyl-4,6-dinitroindole Traditional Name: 3-(4-fluorobenzyl)-4,6-dinitro-1-tosyl-indole Formula: C22H16FN3O6S MolecularWeight: 469.442343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=C(C=C32)[N+](=O)[O-])[N+](=O)[O-])CC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=C(C=C32)[N+](=O)[O-])[N+](=O)[O-])CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H16FN3O6S/c1-14-2-8-19(9-3-14)33(31,32)24-13-16(10-15-4-6-17(23)7-5-15)22-20(24)11-18(25(27)28)12-21(22)26(29)30/h2-9,11-13H,10H2,1H3