2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-(2-methyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-(2-methyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(2-methyl-5-nitrophenyl)acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

InChI

InChI=1S/C26H31N3O5S/c1-17-3-6-23(29(31)32)12-24(17)27-25(30)16-28(35(2,33)34)22-7-4-21(5-8-22)26-13-18-9-19(14-26)11-20(10-18)15-26/h3-8,12,18-20H,9-11,13-16H2,1-2H3,(H,27,30)