N-[3-(4-tert-butylphenyl)carbonylphenyl]-2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[3-(4-tert-butylphenyl)carbonylphenyl]-2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[3-(4-tert-butylbenzoyl)phenyl]-2-(3-chloro-4-fluoro-N-methylsulfonyl-anilino)acetamide CAS Name: N-[3-[(4-tert-butylphenyl)-oxomethyl]phenyl]-2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide IUPAC Name: N-[3-(4-tert-butylbenzoyl)phenyl]-2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide Traditional Name: N-[3-(4-tert-butylbenzoyl)phenyl]-2-(3-chloro-4-fluoro-N-mesyl-anilino)acetamide Formula: C26H26ClFN2O4S MolecularWeight: 517.012043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NC(=O)CN(C3=CC(=C(C=C3)F)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NC(=O)CN(C3=CC(=C(C=C3)F)Cl)S(=O)(=O)C

InChI

InChI=1S/C26H26ClFN2O4S/c1-26(2,3)19-10-8-17(9-11-19)25(32)18-6-5-7-20(14-18)29-24(31)16-30(35(4,33)34)21-12-13-23(28)22(27)15-21/h5-15H,16H2,1-4H3,(H,29,31)