N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethoxy-benzenesulfonamide

Systemtic Name: N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethoxy-benzenesulfonamide Openeye Name: N-[(4S)-6-chlorothiochroman-4-yl]-2,5-dimethoxy-benzenesulfonamide CAS Name: N-[(4S)-6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-2,5-dimethoxybenzenesulfonamide IUPAC Name: N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethoxybenzenesulfonamide Traditional Name: N-[(4S)-6-chlorothiochroman-4-yl]-2,5-dimethoxy-benzenesulfonamide Formula: C17H18ClNO4S2 MolecularWeight: 399.91212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2CCSC3=C2C=C(C=C3)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N[C@H]2CCSC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C17H18ClNO4S2/c1-22-12-4-5-15(23-2)17(10-12)25(20,21)19-14-7-8-24-16-6-3-11(18)9-13(14)16/h3-6,9-10,14,19H,7-8H2,1-2H3/t14-/m0/s1