N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-oxidanylidenequinazolin-3-yl)ethanesulfonamide

Systemtic Name: N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-oxidanylidenequinazolin-3-yl)ethanesulfonamide Openeye Name: N-[(4S)-6-chlorothiochroman-4-yl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide CAS Name: N-[(4S)-6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-2-(4-oxo-3-quinazolinyl)ethanesulfonamide IUPAC Name: N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide Traditional Name: N-[(4S)-6-chlorothiochroman-4-yl]-2-(4-ketoquinazolin-3-yl)ethanesulfonamide Formula: C19H18ClN3O3S2 MolecularWeight: 435.94752

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NS(=O)(=O)CCN3C=NC4=CC=CC=C4C3=O)C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C([C@H]1NS(=O)(=O)CCN3C=NC4=CC=CC=C4C3=O)C=C(C=C2)Cl

InChI

InChI=1S/C19H18ClN3O3S2/c20-13-5-6-18-15(11-13)17(7-9-27-18)22-28(25,26)10-8-23-12-21-16-4-2-1-3-14(16)19(23)24/h1-6,11-12,17,22H,7-10H2/t17-/m0/s1