N-[3-(4-tert-butylphenyl)carbonylphenyl]-2-[(4-fluorophenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-[3-(4-tert-butylphenyl)carbonylphenyl]-2-[(4-fluorophenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluoro-N-methylsulfonyl-anilino)butanamide CAS Name: N-[3-[(4-tert-butylphenyl)-oxomethyl]phenyl]-2-(4-fluoro-N-methylsulfonylanilino)butanamide IUPAC Name: N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluoro-N-methylsulfonylanilino)butanamide Traditional Name: N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluoro-N-mesyl-anilino)butyramide Formula: C28H31FN2O4S MolecularWeight: 510.620143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)C2=CC=C(C=C2)C(C)(C)C)N(C3=CC=C(C=C3)F)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)C2=CC=C(C=C2)C(C)(C)C)N(C3=CC=C(C=C3)F)S(=O)(=O)C

InChI

InChI=1S/C28H31FN2O4S/c1-6-25(31(36(5,34)35)24-16-14-22(29)15-17-24)27(33)30-23-9-7-8-20(18-23)26(32)19-10-12-21(13-11-19)28(2,3)4/h7-18,25H,6H2,1-5H3,(H,30,33)