methyl 3-[(3-fluoranyl-4-methoxy-phenyl)-propylsulfonyl-carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(3-fluoranyl-4-methoxy-phenyl)-propylsulfonyl-carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(3-fluoro-4-methoxy-phenyl)-propylsulfonyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[(3-fluoro-4-methoxy-N-propylsulfonylanilino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(3-fluoro-4-methoxyphenyl)-propylsulfonylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(3-fluoro-4-methoxy-phenyl)-propylsulfonyl-carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H19FN2O8S MolecularWeight: 454.426163

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N(C1=CC(=C(C=C1)OC)F)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCS(=O)(=O)N(C1=CC(=C(C=C1)OC)F)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H19FN2O8S/c1-4-7-31(27,28)21(14-5-6-17(29-2)16(20)11-14)18(23)12-8-13(19(24)30-3)10-15(9-12)22(25)26/h5-6,8-11H,4,7H2,1-3H3