methyl 2-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[1-(2-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[1-(2-fluorophenyl)sulfonylisonipecotoyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H20FN3O5S2 MolecularWeight: 477.529003

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C21H20FN3O5S2/c1-30-20(27)14-6-7-16-17(12-14)31-21(23-16)24-19(26)13-8-10-25(11-9-13)32(28,29)18-5-3-2-4-15(18)22/h2-7,12-13H,8-11H2,1H3,(H,23,24,26)