N-[(1S,3S,4S)-8-methoxy-1,3-dimethyl-3,4-dihydro-1H-isochromen-4-yl]-4-methyl-N-(2-oxidanylideneethyl)benzenesulfonamide

Systemtic Name: N-[(1S,3S,4S)-8-methoxy-1,3-dimethyl-3,4-dihydro-1H-isochromen-4-yl]-4-methyl-N-(2-oxidanylideneethyl)benzenesulfonamide Openeye Name: N-[(1S,3S,4S)-8-methoxy-1,3-dimethyl-isochroman-4-yl]-4-methyl-N-(2-oxoethyl)benzenesulfonamide CAS Name: N-[(1S,3S,4S)-8-methoxy-1,3-dimethyl-3,4-dihydro-1H-2-benzopyran-4-yl]-4-methyl-N-(2-oxoethyl)benzenesulfonamide IUPAC Name: N-[(1S,3S,4S)-8-methoxy-1,3-dimethyl-3,4-dihydro-1H-isochromen-4-yl]-4-methyl-N-(2-oxoethyl)benzenesulfonamide Traditional Name: N-(2-ketoethyl)-N-[(1S,3S,4S)-8-methoxy-1,3-dimethyl-isochroman-4-yl]-4-methyl-benzenesulfonamide Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(C(O1)C)C(=CC=C2)OC)N(CC=O)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

C[C@H]1[C@H](C2=C([C@@H](O1)C)C(=CC=C2)OC)N(CC=O)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H25NO5S/c1-14-8-10-17(11-9-14)28(24,25)22(12-13-23)21-16(3)27-15(2)20-18(21)6-5-7-19(20)26-4/h5-11,13,15-16,21H,12H2,1-4H3/t15-,16-,21+/m0/s1