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

Systemtic Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(4-methoxyphenyl)benzamide Openeye Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(4-methoxyphenyl)benzamide CAS Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(4-methoxyphenyl)benzamide IUPAC Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-(4-methoxyphenyl)benzamide Traditional Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-(4-methoxyphenyl)benzamide Formula: C31H33N3O6S MolecularWeight: 575.67522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=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

COC1=CC=C(C=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/C31H33N3O6S/c1-40-26-8-6-24(7-9-26)23-2-4-25(5-3-23)30(35)33-41(38,39)27-10-11-28(29(15-27)34(36)37)32-19-31-16-20-12-21(17-31)14-22(13-20)18-31/h2-11,15,20-22,32H,12-14,16-19H2,1H3,(H,33,35)