2-phenoxyethyl 2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: 2-phenoxyethyl 2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: 2-phenoxyethyl 2-[[4-(2-furylmethylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(2-furanylmethylamino)-3-nitrophenyl]sulfonylamino]acetic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(2-furfurylamino)-3-nitro-phenyl]sulfonylamino]acetic acid 2-phenoxyethyl ester Formula: C21H21N3O8S MolecularWeight: 475.47174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O8S/c25-21(32-12-11-31-16-5-2-1-3-6-16)15-23-33(28,29)18-8-9-19(20(13-18)24(26)27)22-14-17-7-4-10-30-17/h1-10,13,22-23H,11-12,14-15H2