[2-(2,6-dimethylmorpholin-4-yl)-2-oxidanylidene-ethyl] 5-[(3-nitrophenyl)sulfonylamino]-2-oxidanyl-benzoate

Systemtic Name: [2-(2,6-dimethylmorpholin-4-yl)-2-oxidanylidene-ethyl] 5-[(3-nitrophenyl)sulfonylamino]-2-oxidanyl-benzoate Openeye Name: [2-(2,6-dimethylmorpholin-4-yl)-2-oxo-ethyl] 2-hydroxy-5-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 2-hydroxy-5-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-(2,6-dimethyl-4-morpholinyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-hydroxy-5-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-hydroxy-5-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-(2,6-dimethylmorpholino)-2-keto-ethyl] ester Formula: C21H23N3O9S MolecularWeight: 493.48702

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=O)COC(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1CN(CC(O1)C)C(=O)COC(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H23N3O9S/c1-13-10-23(11-14(2)33-13)20(26)12-32-21(27)18-8-15(6-7-19(18)25)22-34(30,31)17-5-3-4-16(9-17)24(28)29/h3-9,13-14,22,25H,10-12H2,1-2H3