ethyl 2-[(2-fluorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]-4-methyl-pentanoate

Systemtic Name: ethyl 2-[(2-fluorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]-4-methyl-pentanoate Openeye Name: ethyl 2-[(2-fluorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]-4-methyl-pentanoate CAS Name: 2-[(2-fluorophenyl)methyl-(4-nitrophenyl)sulfonylamino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 2-[(2-fluorophenyl)methyl-(4-nitrophenyl)sulfonylamino]-4-methylpentanoate Traditional Name: 2-[(2-fluorobenzyl)-nosyl-amino]-4-methyl-valeric acid ethyl ester Formula: C21H25FN2O6S MolecularWeight: 452.496403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)N(CC1=CC=CC=C1F)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CC(C)C)N(CC1=CC=CC=C1F)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H25FN2O6S/c1-4-30-21(25)20(13-15(2)3)23(14-16-7-5-6-8-19(16)22)31(28,29)18-11-9-17(10-12-18)24(26)27/h5-12,15,20H,4,13-14H2,1-3H3