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

Systemtic Name: N-[4-(2-adamantylamino)-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide Openeye Name: N-[4-(2-adamantylamino)-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide CAS Name: N-[4-(2-adamantylamino)-3-nitrophenyl]sulfonyl-4-(4-fluorophenyl)benzamide IUPAC Name: N-[4-(2-adamantylamino)-3-nitrophenyl]sulfonyl-4-(4-fluorophenyl)benzamide Traditional Name: N-[4-(2-adamantylamino)-3-nitro-phenyl]sulfonyl-4-(4-fluorophenyl)benzamide Formula: C29H28FN3O5S MolecularWeight: 549.613123

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC4=C(C=C(C=C4)S(=O)(=O)NC(=O)C5=CC=C(C=C5)C6=CC=C(C=C6)F)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC4=C(C=C(C=C4)S(=O)(=O)NC(=O)C5=CC=C(C=C5)C6=CC=C(C=C6)F)[N+](=O)[O-]

InChI

InChI=1S/C29H28FN3O5S/c30-24-7-5-20(6-8-24)19-1-3-21(4-2-19)29(34)32-39(37,38)25-9-10-26(27(16-25)33(35)36)31-28-22-12-17-11-18(14-22)15-23(28)13-17/h1-10,16-18,22-23,28,31H,11-15H2,(H,32,34)