(4-propylsulfonylphenyl)methyl 2-[(4-methoxy-2-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: (4-propylsulfonylphenyl)methyl 2-[(4-methoxy-2-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: (4-propylsulfonylphenyl)methyl 2-[(4-methoxy-2-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[(4-methoxy-2-nitrophenyl)sulfonylamino]acetic acid (4-propylsulfonylphenyl)methyl ester IUPAC Name: (4-propylsulfonylphenyl)methyl 2-[(4-methoxy-2-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-methoxy-2-nitro-phenyl)sulfonylamino]acetic acid (4-propylsulfonylbenzyl) ester Formula: C19H22N2O9S2 MolecularWeight: 486.51598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O9S2/c1-3-10-31(25,26)16-7-4-14(5-8-16)13-30-19(22)12-20-32(27,28)18-9-6-15(29-2)11-17(18)21(23)24/h4-9,11,20H,3,10,12-13H2,1-2H3