N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-[4-fluoranyl-2-(methylamino)phenyl]benzamide

Systemtic Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-[4-fluoranyl-2-(methylamino)phenyl]benzamide Openeye Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-[4-fluoro-2-(methylamino)phenyl]benzamide CAS Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-[4-fluoro-2-(methylamino)phenyl]benzamide IUPAC Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-[4-fluoro-2-(methylamino)phenyl]benzamide Traditional Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-[4-fluoro-2-(methylamino)phenyl]benzamide Formula: C31H33FN4O5S MolecularWeight: 592.680923

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1)F)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=CC(=C1)F)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

InChI

InChI=1S/C31H33FN4O5S/c1-33-28-13-24(32)6-8-26(28)22-2-4-23(5-3-22)30(37)35-42(40,41)25-7-9-27(29(14-25)36(38)39)34-18-31-15-19-10-20(16-31)12-21(11-19)17-31/h2-9,13-14,19-21,33-34H,10-12,15-18H2,1H3,(H,35,37)