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

Systemtic Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-nitro-benzenesulfonamide Openeye Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-4-nitro-benzenesulfonamide CAS Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-nitrobenzenesulfonamide Traditional Name: N-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]-4-nitro-benzenesulfonamide Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6S/c1-3-25-17-9-13-8-12(2)26-18(13)10-14(17)11-19-27(23,24)16-6-4-15(5-7-16)20(21)22/h4-7,9-10,12,19H,3,8,11H2,1-2H3/t12-/m0/s1