N-[7-(4-fluorophenyl)quinazolin-4-yl]-3-nitro-4-(2-phenylsulfanylethylamino)benzenesulfonamide

Systemtic Name: N-[7-(4-fluorophenyl)quinazolin-4-yl]-3-nitro-4-(2-phenylsulfanylethylamino)benzenesulfonamide Openeye Name: N-[7-(4-fluorophenyl)quinazolin-4-yl]-3-nitro-4-(2-phenylsulfanylethylamino)benzenesulfonamide CAS Name: N-[7-(4-fluorophenyl)-4-quinazolinyl]-3-nitro-4-[2-(phenylthio)ethylamino]benzenesulfonamide IUPAC Name: N-[7-(4-fluorophenyl)quinazolin-4-yl]-3-nitro-4-(2-phenylsulfanylethylamino)benzenesulfonamide Traditional Name: N-[7-(4-fluorophenyl)quinazolin-4-yl]-3-nitro-4-[2-(phenylthio)ethylamino]benzenesulfonamide Formula: C28H22FN5O4S2 MolecularWeight: 575.633783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC2=C(C=C(C=C2)S(=O)(=O)NC3=NC=NC4=C3C=CC(=C4)C5=CC=C(C=C5)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCCNC2=C(C=C(C=C2)S(=O)(=O)NC3=NC=NC4=C3C=CC(=C4)C5=CC=C(C=C5)F)[N+](=O)[O-]

InChI

InChI=1S/C28H22FN5O4S2/c29-21-9-6-19(7-10-21)20-8-12-24-26(16-20)31-18-32-28(24)33-40(37,38)23-11-13-25(27(17-23)34(35)36)30-14-15-39-22-4-2-1-3-5-22/h1-13,16-18,30H,14-15H2,(H,31,32,33)