N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-(2-methylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-(2-methylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-(6-fluorothiochroman-4-yl)-3-[(2-methyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-[(2-methyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-(6-fluorothiochroman-4-yl)-3-(2-methylpiperidino)sulfonyl-benzamide Formula: C22H25FN2O3S2 MolecularWeight: 448.573903

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCSC4=C3C=C(C=C4)F

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCSC4=C3C=C(C=C4)F

InChI

InChI=1S/C22H25FN2O3S2/c1-15-5-2-3-11-25(15)30(27,28)18-7-4-6-16(13-18)22(26)24-20-10-12-29-21-9-8-17(23)14-19(20)21/h4,6-9,13-15,20H,2-3,5,10-12H2,1H3,(H,24,26)