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

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5S2/c1-3-31-22(28)16-8-11-19-20(13-16)32-23(24-19)25-21(27)17-5-4-12-26(14-17)33(29,30)18-9-6-15(2)7-10-18/h6-11,13,17H,3-5,12,14H2,1-2H3,(H,24,25,27)