N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-[(1E)-cycloocten-1-yl]benzamide

Systemtic Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-[(1E)-cycloocten-1-yl]benzamide Openeye Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-[(1E)-cycloocten-1-yl]benzamide CAS Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-[(1E)-1-cyclooctenyl]benzamide IUPAC Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-[(1E)-cycloocten-1-yl]benzamide Traditional Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-[(1E)-cycloocten-1-yl]benzamide Formula: C32H39N3O5S MolecularWeight: 577.73416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(=CCC1)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

C1CCC/C(=C\CC1)/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/C32H39N3O5S/c36-31(27-10-8-26(9-11-27)25-6-4-2-1-3-5-7-25)34-41(39,40)28-12-13-29(30(17-28)35(37)38)33-21-32-18-22-14-23(19-32)16-24(15-22)20-32/h6,8-13,17,22-24,33H,1-5,7,14-16,18-21H2,(H,34,36)/b25-6+