N-[(Z)-(6-fluoranyl-2,3-dihydrothiochromen-4-ylidene)amino]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(Z)-(6-fluoranyl-2,3-dihydrothiochromen-4-ylidene)amino]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[(Z)-(6-fluorothiochroman-4-ylidene)amino]-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[(Z)-(6-fluoro-2,3-dihydro-1-benzothiopyran-4-ylidene)amino]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[(Z)-(6-fluorothiochroman-4-ylidene)amino]-3-piperidinosulfonyl-benzamide Formula: C21H22FN3O3S2 MolecularWeight: 447.546083

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NN=C3CCSC4=C3C=C(C=C4)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N/N=C\3/CCSC4=C3C=C(C=C4)F

InChI

InChI=1S/C21H22FN3O3S2/c22-16-7-8-20-18(14-16)19(9-12-29-20)23-24-21(26)15-5-4-6-17(13-15)30(27,28)25-10-2-1-3-11-25/h4-8,13-14H,1-3,9-12H2,(H,24,26)/b23-19-