N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide

Systemtic Name: N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide Openeye Name: N-(6-fluorothiochroman-4-yl)-3-[(4-isopropylphenyl)sulfonylamino]propanamide CAS Name: N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide IUPAC Name: N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide Traditional Name: N-(6-fluorothiochroman-4-yl)-3-(p-cumenylsulfonylamino)propionamide Formula: C21H25FN2O3S2 MolecularWeight: 436.563203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2CCSC3=C2C=C(C=C3)F

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2CCSC3=C2C=C(C=C3)F

InChI

InChI=1S/C21H25FN2O3S2/c1-14(2)15-3-6-17(7-4-15)29(26,27)23-11-9-21(25)24-19-10-12-28-20-8-5-16(22)13-18(19)20/h3-8,13-14,19,23H,9-12H2,1-2H3,(H,24,25)