4-tert-butyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S/c1-20(2,3)15-7-5-14(6-8-15)19(24)22-12-11-21-17-10-9-16(29(4,27)28)13-18(17)23(25)26/h5-10,13,21H,11-12H2,1-4H3,(H,22,24)