(3,5-dimethylphenyl)methyl 2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: (3,5-dimethylphenyl)methyl 2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: (3,5-dimethylphenyl)methyl 2-[[4-(2-furylmethylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(2-furanylmethylamino)-3-nitrophenyl]sulfonylamino]acetic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(2-furfurylamino)-3-nitro-phenyl]sulfonylamino]acetic acid (3,5-dimethylbenzyl) ester Formula: C22H23N3O7S MolecularWeight: 473.49892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CO3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CO3)[N+](=O)[O-])C

InChI

InChI=1S/C22H23N3O7S/c1-15-8-16(2)10-17(9-15)14-32-22(26)13-24-33(29,30)19-5-6-20(21(11-19)25(27)28)23-12-18-4-3-7-31-18/h3-11,23-24H,12-14H2,1-2H3