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

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-phenyl-pentanamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-2-phenyl-pentanamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-phenylpentanamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-phenylpentanamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-2-phenyl-valeramide Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S/c1-3-7-17(15-8-5-4-6-9-15)20(24)22-13-12-21-18-11-10-16(29(2,27)28)14-19(18)23(25)26/h4-6,8-11,14,17,21H,3,7,12-13H2,1-2H3,(H,22,24)