2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-(2-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-(2-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-(2-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(2-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(2-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=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=CC=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/c1-17-23(4-3-5-24(17)29(31)32)27-25(30)16-28(35(2,33)34)22-8-6-21(7-9-22)26-13-18-10-19(14-26)12-20(11-18)15-26/h3-9,18-20H,10-16H2,1-2H3,(H,27,30)