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

Systemtic Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-methoxy-3-nitro-benzenesulfonamide Openeye Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-4-methoxy-3-nitro-benzenesulfonamide CAS Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-4-methoxy-3-nitrobenzenesulfonamide IUPAC Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-methoxy-3-nitrobenzenesulfonamide Traditional Name: N-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]-4-methoxy-3-nitro-benzenesulfonamide Formula: C18H20N2O7S MolecularWeight: 408.4256

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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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O7S/c1-4-26-18-8-12-7-11(2)27-17(12)10-14(18)19-28(23,24)13-5-6-16(25-3)15(9-13)20(21)22/h5-6,8-11,19H,4,7H2,1-3H3/t11-/m0/s1