4-(4-methylphenoxy)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]butanamide

Systemtic Name: 4-(4-methylphenoxy)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]butanamide Openeye Name: 4-(4-methylphenoxy)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]butanamide CAS Name: 4-(4-methylphenoxy)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]butanamide IUPAC Name: 4-(4-methylphenoxy)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]butanamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-4-(4-methylphenoxy)butyramide Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O6S/c1-15-5-7-16(8-6-15)29-13-3-4-20(24)22-12-11-21-18-10-9-17(30(2,27)28)14-19(18)23(25)26/h5-10,14,21H,3-4,11-13H2,1-2H3,(H,22,24)