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

Systemtic Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-cycloheptyl-benzamide Openeye Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-cycloheptyl-benzamide CAS Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-cycloheptylbenzamide IUPAC Name: N-[4-(1-adamantylmethylamino)-3-nitrophenyl]sulfonyl-4-cycloheptylbenzamide Traditional Name: N-[4-(1-adamantylmethylamino)-3-nitro-phenyl]sulfonyl-4-cycloheptyl-benzamide Formula: C31H39N3O5S MolecularWeight: 565.72346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)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

C1CCCC(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/C31H39N3O5S/c35-30(26-9-7-25(8-10-26)24-5-3-1-2-4-6-24)33-40(38,39)27-11-12-28(29(16-27)34(36)37)32-20-31-17-21-13-22(18-31)15-23(14-21)19-31/h7-12,16,21-24,32H,1-6,13-15,17-20H2,(H,33,35)