(2-methoxy-5-nitro-phenyl)methyl 5-(furan-2-ylmethylsulfamoyl)-2-methyl-benzoate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 5-(furan-2-ylmethylsulfamoyl)-2-methyl-benzoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 5-(2-furylmethylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(2-furanylmethylsulfamoyl)-2-methylbenzoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(2-furfurylsulfamoyl)-2-methyl-benzoic acid (2-methoxy-5-nitro-benzyl) ester Formula: C21H20N2O8S MolecularWeight: 460.4571

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CO2)C(=O)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CO2)C(=O)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H20N2O8S/c1-14-5-7-18(32(27,28)22-12-17-4-3-9-30-17)11-19(14)21(24)31-13-15-10-16(23(25)26)6-8-20(15)29-2/h3-11,22H,12-13H2,1-2H3