4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]sulfamoyl]-2-nitro-phenolate

Systemtic Name: 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]sulfamoyl]-2-nitro-phenolate Openeye Name: 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]sulfamoyl]-2-nitro-phenolate CAS Name: 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]sulfamoyl]-2-nitrophenolate IUPAC Name: 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]sulfamoyl]-2-nitrophenolate Traditional Name: 4-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]sulfamoyl]-2-nitro-phenolate Formula: C17H17N2O7S- MolecularWeight: 393.39108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)NS(=O)(=O)C3=CC(=C(C=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)NS(=O)(=O)C3=CC(=C(C=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O7S/c1-3-25-17-7-11-6-10(2)26-16(11)9-13(17)18-27(23,24)12-4-5-15(20)14(8-12)19(21)22/h4-5,7-10,18,20H,3,6H2,1-2H3/p-1/t10-/m0/s1