4-(4-fluorophenyl)-N-[3-nitro-4-[(2-phenylsulfanylphenyl)amino]phenyl]sulfonyl-benzamide

Systemtic Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[(2-phenylsulfanylphenyl)amino]phenyl]sulfonyl-benzamide Openeye Name: 4-(4-fluorophenyl)-N-[3-nitro-4-(2-phenylsulfanylanilino)phenyl]sulfonyl-benzamide CAS Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[2-(phenylthio)anilino]phenyl]sulfonylbenzamide IUPAC Name: 4-(4-fluorophenyl)-N-[3-nitro-4-(2-phenylsulfanylanilino)phenyl]sulfonylbenzamide Traditional Name: 4-(4-fluorophenyl)-N-[3-nitro-4-[2-(phenylthio)anilino]phenyl]sulfonyl-benzamide Formula: C31H22FN3O5S2 MolecularWeight: 599.651883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)F)[N+](=O)[O-]

InChI

InChI=1S/C31H22FN3O5S2/c32-24-16-14-22(15-17-24)21-10-12-23(13-11-21)31(36)34-42(39,40)26-18-19-27(29(20-26)35(37)38)33-28-8-4-5-9-30(28)41-25-6-2-1-3-7-25/h1-20,33H,(H,34,36)