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

Systemtic Name: 3-cyano-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide Openeye Name: 3-cyano-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]benzenesulfonamide CAS Name: 3-cyano-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]benzenesulfonamide IUPAC Name: 3-cyano-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide Traditional Name: 3-cyano-N-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]benzenesulfonamide Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)NS(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c1-3-23-18-9-14-7-12(2)24-17(14)10-16(18)20-25(21,22)15-6-4-5-13(8-15)11-19/h4-6,8-10,12,20H,3,7H2,1-2H3/t12-/m0/s1