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

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-(3-oxidanyl-1-adamantyl)ethanamide Openeye Name: 2-(3-hydroxy-1-adamantyl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]acetamide CAS Name: 2-(3-hydroxy-1-adamantyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide IUPAC Name: 2-(3-hydroxy-1-adamantyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide Traditional Name: 2-(3-hydroxy-1-adamantyl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]acetamide Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CC23CC4CC(C2)CC(C4)(C3)O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CC23CC4CC(C2)CC(C4)(C3)O)[N+](=O)[O-]

InChI

InChI=1S/C21H29N3O6S/c1-31(29,30)16-2-3-17(18(7-16)24(27)28)22-4-5-23-19(25)12-20-8-14-6-15(9-20)11-21(26,10-14)13-20/h2-3,7,14-15,22,26H,4-6,8-13H2,1H3,(H,23,25)