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

Systemtic Name: N-[(2S,3S)-2-(4-chlorophenyl)-6-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-yl]benzenesulfonamide Openeye Name: N-[(2S,3S)-2-(4-chlorophenyl)-6-methoxy-3-methyl-2,3-dihydrobenzofuran-5-yl]benzenesulfonamide CAS Name: N-[(2S,3S)-2-(4-chlorophenyl)-6-methoxy-3-methyl-2,3-dihydrobenzofuran-5-yl]benzenesulfonamide IUPAC Name: N-[(2S,3S)-2-(4-chlorophenyl)-6-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-yl]benzenesulfonamide Traditional Name: N-[(2S,3S)-2-(4-chlorophenyl)-6-methoxy-3-methyl-coumaran-5-yl]benzenesulfonamide Formula: C22H20ClNO4S MolecularWeight: 429.9165

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC(=C(C=C12)NS(=O)(=O)C3=CC=CC=C3)OC)C4=CC=C(C=C4)Cl

Isomeric SMILES

C[C@@H]1[C@H](OC2=CC(=C(C=C12)NS(=O)(=O)C3=CC=CC=C3)OC)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClNO4S/c1-14-18-12-19(24-29(25,26)17-6-4-3-5-7-17)21(27-2)13-20(18)28-22(14)15-8-10-16(23)11-9-15/h3-14,22,24H,1-2H3/t14-,22-/m0/s1