2-[(2,5-dimethylphenyl)sulfonylamino]-N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-4-methylsulfanyl-butanamide

Systemtic Name: 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-4-methylsulfanyl-butanamide Openeye Name: 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(6-fluorothiochroman-4-yl)-4-methylsulfanyl-butanamide CAS Name: 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-(methylthio)butanamide IUPAC Name: 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methylsulfanylbutanamide Traditional Name: 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(6-fluorothiochroman-4-yl)-4-(methylthio)butyramide Formula: C22H27FN2O3S3 MolecularWeight: 482.654783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC(CCSC)C(=O)NC2CCSC3=C2C=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC(CCSC)C(=O)NC2CCSC3=C2C=C(C=C3)F

InChI

InChI=1S/C22H27FN2O3S3/c1-14-4-5-15(2)21(12-14)31(27,28)25-19(8-10-29-3)22(26)24-18-9-11-30-20-7-6-16(23)13-17(18)20/h4-7,12-13,18-19,25H,8-11H2,1-3H3,(H,24,26)