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

Systemtic Name: ethyl 2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(1-tosylisonipecotoyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C23H25N3O5S2 MolecularWeight: 487.5917

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5S2/c1-3-31-22(28)17-6-9-19-20(14-17)32-23(24-19)25-21(27)16-10-12-26(13-11-16)33(29,30)18-7-4-15(2)5-8-18/h4-9,14,16H,3,10-13H2,1-2H3,(H,24,25,27)