methyl 4-[(3-fluoranyl-4-methoxy-phenyl)-propylsulfonyl-carbamoyl]-2-nitro-benzoate

Systemtic Name: methyl 4-[(3-fluoranyl-4-methoxy-phenyl)-propylsulfonyl-carbamoyl]-2-nitro-benzoate Openeye Name: methyl 4-[(3-fluoro-4-methoxy-phenyl)-propylsulfonyl-carbamoyl]-2-nitro-benzoate CAS Name: 4-[(3-fluoro-4-methoxy-N-propylsulfonylanilino)-oxomethyl]-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(3-fluoro-4-methoxyphenyl)-propylsulfonylcarbamoyl]-2-nitrobenzoate Traditional Name: 4-[(3-fluoro-4-methoxy-phenyl)-propylsulfonyl-carbamoyl]-2-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(=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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