N-(1-adamantyl)-4-[[2,5-bis(chloranyl)phenyl]-methylsulfonyl-amino]butanamide

Systemtic Name: N-(1-adamantyl)-4-[[2,5-bis(chloranyl)phenyl]-methylsulfonyl-amino]butanamide Openeye Name: N-(1-adamantyl)-4-(2,5-dichloro-N-methylsulfonyl-anilino)butanamide CAS Name: N-(1-adamantyl)-4-(2,5-dichloro-N-methylsulfonylanilino)butanamide IUPAC Name: N-(1-adamantyl)-4-(2,5-dichloro-N-methylsulfonylanilino)butanamide Traditional Name: N-(1-adamantyl)-4-(2,5-dichloro-N-mesyl-anilino)butyramide Formula: C21H28Cl2N2O3S MolecularWeight: 459.42962

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(=O)NC12CC3CC(C1)CC(C3)C2)C4=C(C=CC(=C4)Cl)Cl

Isomeric SMILES

CS(=O)(=O)N(CCCC(=O)NC12CC3CC(C1)CC(C3)C2)C4=C(C=CC(=C4)Cl)Cl

InChI

InChI=1S/C21H28Cl2N2O3S/c1-29(27,28)25(19-10-17(22)4-5-18(19)23)6-2-3-20(26)24-21-11-14-7-15(12-21)9-16(8-14)13-21/h4-5,10,14-16H,2-3,6-9,11-13H2,1H3,(H,24,26)