4-[(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)sulfamoyl]-2-nitro-phenolate

Systemtic Name: 4-[(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)sulfamoyl]-2-nitro-phenolate Openeye Name: 4-[(4-methoxy-3-morpholinosulfonyl-phenyl)sulfamoyl]-2-nitro-phenolate CAS Name: 4-[[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]sulfamoyl]-2-nitrophenolate IUPAC Name: 4-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-nitrophenolate Traditional Name: 4-[(4-methoxy-3-morpholinosulfonyl-phenyl)sulfamoyl]-2-nitro-phenolate Formula: C17H18N3O9S2- MolecularWeight: 472.46952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H19N3O9S2/c1-28-16-5-2-12(10-17(16)31(26,27)19-6-8-29-9-7-19)18-30(24,25)13-3-4-15(21)14(11-13)20(22)23/h2-5,10-11,18,21H,6-9H2,1H3/p-1