3-(3-fluoranyl-4-methoxy-phenyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide

Systemtic Name: 3-(3-fluoranyl-4-methoxy-phenyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide Openeye Name: 3-(3-fluoro-4-methoxy-phenyl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]propanamide CAS Name: 3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide IUPAC Name: 3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide Traditional Name: 3-(3-fluoro-4-methoxy-phenyl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]propionamide Formula: C19H22FN3O6S MolecularWeight: 439.457883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])F

InChI

InChI=1S/C19H22FN3O6S/c1-29-18-7-3-13(11-15(18)20)4-8-19(24)22-10-9-21-16-6-5-14(30(2,27)28)12-17(16)23(25)26/h3,5-7,11-12,21H,4,8-10H2,1-2H3,(H,22,24)