N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butyramide Formula: C21H23N5O6S MolecularWeight: 473.50222

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CCCC2=NC(=NO2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CCCC2=NC(=NO2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O6S/c1-33(30,31)16-10-11-17(18(14-16)26(28)29)22-12-13-23-19(27)8-5-9-20-24-21(25-32-20)15-6-3-2-4-7-15/h2-4,6-7,10-11,14,22H,5,8-9,12-13H2,1H3,(H,23,27)