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

Systemtic Name: ethyl 2-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[1-(4-fluorophenyl)sulfonylisonipecotoyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H22FN3O5S2 MolecularWeight: 491.555583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3O5S2/c1-2-31-21(28)15-3-8-18-19(13-15)32-22(24-18)25-20(27)14-9-11-26(12-10-14)33(29,30)17-6-4-16(23)5-7-17/h3-8,13-14H,2,9-12H2,1H3,(H,24,25,27)