N-[1-(3-fluoranyl-4-methoxy-phenyl)ethyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide

Systemtic Name: N-[1-(3-fluoranyl-4-methoxy-phenyl)ethyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide Openeye Name: N-[1-(3-fluoro-4-methoxy-phenyl)ethyl]-4-methylsulfanyl-2-(p-tolylsulfonylamino)butanamide CAS Name: N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)butanamide IUPAC Name: N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: N-[1-(3-fluoro-4-methoxy-phenyl)ethyl]-4-(methylthio)-2-(tosylamino)butyramide Formula: C21H27FN2O4S2 MolecularWeight: 454.578483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC(C)C2=CC(=C(C=C2)OC)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC(C)C2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C21H27FN2O4S2/c1-14-5-8-17(9-6-14)30(26,27)24-19(11-12-29-4)21(25)23-15(2)16-7-10-20(28-3)18(22)13-16/h5-10,13,15,19,24H,11-12H2,1-4H3,(H,23,25)