N-(4-bromanyl-2-fluoranyl-phenyl)-4-[(3-methylphenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-4-[(3-methylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-4-(3-methyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-(4-bromo-2-fluorophenyl)-4-(3-methyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-4-(3-methyl-N-methylsulfonylanilino)butanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-4-(N-mesyl-3-methyl-anilino)butyramide Formula: C18H20BrFN2O3S MolecularWeight: 443.330403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CCCC(=O)NC2=C(C=C(C=C2)Br)F)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CCCC(=O)NC2=C(C=C(C=C2)Br)F)S(=O)(=O)C

InChI

InChI=1S/C18H20BrFN2O3S/c1-13-5-3-6-15(11-13)22(26(2,24)25)10-4-7-18(23)21-17-9-8-14(19)12-16(17)20/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,21,23)