methyl 2-[(5-fluoranyl-2-nitro-phenyl)methyl-(4-methoxyphenyl)sulfonyl-amino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[(5-fluoranyl-2-nitro-phenyl)methyl-(4-methoxyphenyl)sulfonyl-amino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[(5-fluoro-2-nitro-phenyl)methyl-(4-methoxyphenyl)sulfonyl-amino]-3-hydroxy-propanoate CAS Name: 2-[(5-fluoro-2-nitrophenyl)methyl-(4-methoxyphenyl)sulfonylamino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[(5-fluoro-2-nitrophenyl)methyl-(4-methoxyphenyl)sulfonylamino]-3-hydroxypropanoate Traditional Name: 2-[(5-fluoro-2-nitro-benzyl)-(4-methoxyphenyl)sulfonyl-amino]-3-hydroxy-propionic acid methyl ester Formula: C18H19FN2O8S MolecularWeight: 442.415463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=C(C=CC(=C2)F)[N+](=O)[O-])C(CO)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=C(C=CC(=C2)F)[N+](=O)[O-])C(CO)C(=O)OC

InChI

InChI=1S/C18H19FN2O8S/c1-28-14-4-6-15(7-5-14)30(26,27)20(17(11-22)18(23)29-2)10-12-9-13(19)3-8-16(12)21(24)25/h3-9,17,22H,10-11H2,1-2H3