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

Systemtic Name: methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[1-(4-fluorophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[1-(4-fluorophenyl)sulfonylnipecotoyl]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)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN3O5S2/c1-30-20(27)13-4-9-17-18(11-13)31-21(23-17)24-19(26)14-3-2-10-25(12-14)32(28,29)16-7-5-15(22)6-8-16/h4-9,11,14H,2-3,10,12H2,1H3,(H,23,24,26)