N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(3-ethanoylphenyl)benzamide

Systemtic Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(3-ethanoylphenyl)benzamide Openeye Name: 4-(3-acetylphenyl)-N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-benzamide CAS Name: 4-(3-acetylphenyl)-N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonylbenzamide IUPAC Name: 4-(3-acetylphenyl)-N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonylbenzamide Traditional Name: 4-(3-acetylphenyl)-N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-benzamide Formula: C32H33N3O6S MolecularWeight: 587.68592

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC(=C1)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

CC(=O)C1=CC=CC(=C1)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/C32H33N3O6S/c1-20(36)26-3-2-4-27(14-26)24-5-7-25(8-6-24)31(37)34-42(40,41)28-9-10-29(30(15-28)35(38)39)33-19-32-16-21-11-22(17-32)13-23(12-21)18-32/h2-10,14-15,21-23,33H,11-13,16-19H2,1H3,(H,34,37)