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

Systemtic Name: N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]-2-methylsulfonyl-benzenesulfonamide Openeye Name: N-[(4S)-6-chlorothiochroman-4-yl]-2-methylsulfonyl-benzenesulfonamide CAS Name: N-[(4S)-6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-2-methylsulfonylbenzenesulfonamide IUPAC Name: N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-2-methylsulfonylbenzenesulfonamide Traditional Name: N-[(4S)-6-chlorothiochroman-4-yl]-2-mesyl-benzenesulfonamide Formula: C16H16ClNO4S3 MolecularWeight: 417.95054

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC2CCSC3=C2C=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]2CCSC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C16H16ClNO4S3/c1-24(19,20)15-4-2-3-5-16(15)25(21,22)18-13-8-9-23-14-7-6-11(17)10-12(13)14/h2-7,10,13,18H,8-9H2,1H3/t13-/m0/s1