ethyl 3-[(4-chloranyl-3-nitro-phenyl)methyl-(4-fluoranyl-3-methyl-phenyl)sulfonyl-amino]-4-methyl-pentanoate

Systemtic Name: ethyl 3-[(4-chloranyl-3-nitro-phenyl)methyl-(4-fluoranyl-3-methyl-phenyl)sulfonyl-amino]-4-methyl-pentanoate Openeye Name: ethyl 3-[(4-chloro-3-nitro-phenyl)methyl-(4-fluoro-3-methyl-phenyl)sulfonyl-amino]-4-methyl-pentanoate CAS Name: 3-[(4-chloro-3-nitrophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-chloro-3-nitrophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-4-methylpentanoate Traditional Name: 3-[(4-chloro-3-nitro-benzyl)-(4-fluoro-3-methyl-phenyl)sulfonyl-amino]-4-methyl-valeric acid ethyl ester Formula: C22H26ClFN2O6S MolecularWeight: 500.968043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(C)C)N(CC1=CC(=C(C=C1)Cl)[N+](=O)[O-])S(=O)(=O)C2=CC(=C(C=C2)F)C

Isomeric SMILES

CCOC(=O)CC(C(C)C)N(CC1=CC(=C(C=C1)Cl)[N+](=O)[O-])S(=O)(=O)C2=CC(=C(C=C2)F)C

InChI

InChI=1S/C22H26ClFN2O6S/c1-5-32-22(27)12-20(14(2)3)25(13-16-6-8-18(23)21(11-16)26(28)29)33(30,31)17-7-9-19(24)15(4)10-17/h6-11,14,20H,5,12-13H2,1-4H3