(3-nitrophenyl)methyl 3-(diethylsulfamoyl)-4-methyl-benzoate

Systemtic Name: (3-nitrophenyl)methyl 3-(diethylsulfamoyl)-4-methyl-benzoate Openeye Name: (3-nitrophenyl)methyl 3-(diethylsulfamoyl)-4-methyl-benzoate CAS Name: 3-(diethylsulfamoyl)-4-methylbenzoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 3-(diethylsulfamoyl)-4-methylbenzoate Traditional Name: 3-(diethylsulfamoyl)-4-methyl-benzoic acid (3-nitrobenzyl) ester Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C19H22N2O6S/c1-4-20(5-2)28(25,26)18-12-16(10-9-14(18)3)19(22)27-13-15-7-6-8-17(11-15)21(23)24/h6-12H,4-5,13H2,1-3H3