N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-2-[2-[(4-methylphenyl)sulfonylamino]ethanoylamino]ethanamide

Systemtic Name: N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-2-[2-[(4-methylphenyl)sulfonylamino]ethanoylamino]ethanamide Openeye Name: N-(6-fluorothiochroman-4-yl)-2-[[2-(p-tolylsulfonylamino)acetyl]amino]acetamide CAS Name: N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-2-[[2-[(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]acetamide IUPAC Name: N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide Traditional Name: N-(6-fluorothiochroman-4-yl)-2-[[2-(tosylamino)acetyl]amino]acetamide Formula: C20H22FN3O4S2 MolecularWeight: 451.534783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O4S2/c1-13-2-5-15(6-3-13)30(27,28)23-12-19(25)22-11-20(26)24-17-8-9-29-18-7-4-14(21)10-16(17)18/h2-7,10,17,23H,8-9,11-12H2,1H3,(H,22,25)(H,24,26)