[(1S)-2-oxidanylidenecyclohexyl] 2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: [(1S)-2-oxocyclohexyl] 2-[[4-(2-furylmethylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(2-furanylmethylamino)-3-nitrophenyl]sulfonylamino]acetic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(2-furfurylamino)-3-nitro-phenyl]sulfonylamino]acetic acid [(1S)-2-ketocyclohexyl] ester Formula: C19H21N3O8S MolecularWeight: 451.45034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O8S/c23-17-5-1-2-6-18(17)30-19(24)12-21-31(27,28)14-7-8-15(16(10-14)22(25)26)20-11-13-4-3-9-29-13/h3-4,7-10,18,20-21H,1-2,5-6,11-12H2/t18-/m0/s1