methyl 2-[[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-2-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-2-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[1-[(5-chloro-2-thienyl)sulfonyl]piperidine-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[1-[(5-chloro-2-thiophenyl)sulfonyl]-2-piperidinyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[1-[(5-chloro-2-thienyl)sulfonyl]pipecoloyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H18ClN3O5S3 MolecularWeight: 500.01132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C19H18ClN3O5S3/c1-28-18(25)11-5-6-12-14(10-11)29-19(21-12)22-17(24)13-4-2-3-9-23(13)31(26,27)16-8-7-15(20)30-16/h5-8,10,13H,2-4,9H2,1H3,(H,21,22,24)