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

Systemtic Name: ethyl 2-[[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[1-(4-chlorophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[1-(4-chlorophenyl)sulfonylnipecotoyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H22ClN3O5S2 MolecularWeight: 508.01018

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O5S2/c1-2-31-21(28)14-5-10-18-19(12-14)32-22(24-18)25-20(27)15-4-3-11-26(13-15)33(29,30)17-8-6-16(23)7-9-17/h5-10,12,15H,2-4,11,13H2,1H3,(H,24,25,27)