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

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 2-[[4-(2-furylmethylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(2-furanylmethylamino)-3-nitrophenyl]sulfonylamino]acetic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(2-furfurylamino)-3-nitro-phenyl]sulfonylamino]acetic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C22H21N3O8S MolecularWeight: 487.48244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O8S/c1-15-4-6-16(7-5-15)21(26)14-33-22(27)13-24-34(30,31)18-8-9-19(20(11-18)25(28)29)23-12-17-3-2-10-32-17/h2-11,23-24H,12-14H2,1H3