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

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

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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)CCCN(C3=CC=C(C=C3)F)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C28H31FN2O4S/c1-28(2,3)22-12-10-20(11-13-22)27(33)21-7-5-8-24(19-21)30-26(32)9-6-18-31(36(4,34)35)25-16-14-23(29)15-17-25/h5,7-8,10-17,19H,6,9,18H2,1-4H3,(H,30,32)