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

Systemtic Name: 3-cyanopropyl 2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: 3-cyanopropyl 2-[[4-(2-furylmethylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(2-furanylmethylamino)-3-nitrophenyl]sulfonylamino]acetic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(2-furfurylamino)-3-nitro-phenyl]sulfonylamino]acetic acid 3-cyanopropyl ester Formula: C17H18N4O7S MolecularWeight: 422.41242

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=C(C=C(C=C2)S(=O)(=O)NCC(=O)OCCCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)CNC2=C(C=C(C=C2)S(=O)(=O)NCC(=O)OCCCC#N)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O7S/c18-7-1-2-8-28-17(22)12-20-29(25,26)14-5-6-15(16(10-14)21(23)24)19-11-13-4-3-9-27-13/h3-6,9-10,19-20H,1-2,8,11-12H2