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

Systemtic Name: ethyl 3-[(4-chloranyl-3-nitro-phenyl)methyl-(4-fluorophenyl)sulfonyl-amino]-4-methyl-pentanoate Openeye Name: ethyl 3-[(4-chloro-3-nitro-phenyl)methyl-(4-fluorophenyl)sulfonyl-amino]-4-methyl-pentanoate CAS Name: 3-[(4-chloro-3-nitrophenyl)methyl-(4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-chloro-3-nitrophenyl)methyl-(4-fluorophenyl)sulfonylamino]-4-methylpentanoate Traditional Name: 3-[(4-chloro-3-nitro-benzyl)-(4-fluorophenyl)sulfonyl-amino]-4-methyl-valeric acid ethyl ester Formula: C21H24ClFN2O6S MolecularWeight: 486.941463

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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

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

InChI

InChI=1S/C21H24ClFN2O6S/c1-4-31-21(26)12-19(14(2)3)24(32(29,30)17-8-6-16(23)7-9-17)13-15-5-10-18(22)20(11-15)25(27)28/h5-11,14,19H,4,12-13H2,1-3H3