N-(6-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfonyl-ethanamide

Systemtic Name: N-(6-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfonyl-ethanamide Openeye Name: N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfonyl-acetamide CAS Name: N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-(3-methyl-1-piperidinyl)-2-oxoethyl]sulfonylacetamide IUPAC Name: N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfonylacetamide Traditional Name: N-(6-fluoro-3-propargyl-1,3-benzothiazol-2-ylidene)-2-[2-keto-2-(3-methylpiperidino)ethyl]sulfonyl-acetamide Formula: C20H22FN3O4S2 MolecularWeight: 451.534783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CS(=O)(=O)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)F)CC#C

Isomeric SMILES

CC1CCCN(C1)C(=O)CS(=O)(=O)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)F)CC#C

InChI

InChI=1S/C20H22FN3O4S2/c1-3-8-24-16-7-6-15(21)10-17(16)29-20(24)22-18(25)12-30(27,28)13-19(26)23-9-4-5-14(2)11-23/h1,6-7,10,14H,4-5,8-9,11-13H2,2H3