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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6S/c1-4-25-17-8-13-7-12(3)26-16(13)10-15(17)19-27(23,24)18-9-14(20(21)22)6-5-11(18)2/h5-6,8-10,12,19H,4,7H2,1-3H3/t12-/m0/s1