[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-[[4-(2-furylmethylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(2-furanylmethylamino)-3-nitrophenyl]sulfonylamino]acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(2-furfurylamino)-3-nitro-phenyl]sulfonylamino]acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C25H30N4O8S MolecularWeight: 546.5927

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CNS(=O)(=O)C4=CC(=C(C=C4)NCC5=CC=CO5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CNS(=O)(=O)C4=CC(=C(C=C4)NCC5=CC=CO5)[N+](=O)[O-]

InChI

InChI=1S/C25H30N4O8S/c30-23(28-25-10-16-6-17(11-25)8-18(7-16)12-25)15-37-24(31)14-27-38(34,35)20-3-4-21(22(9-20)29(32)33)26-13-19-2-1-5-36-19/h1-5,9,16-18,26-27H,6-8,10-15H2,(H,28,30)