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

Systemtic Name: methyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[1-(4-methoxyphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[1-(4-methoxyphenyl)sulfonylnipecotoyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H23N3O6S2 MolecularWeight: 489.56452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H23N3O6S2/c1-30-16-6-8-17(9-7-16)33(28,29)25-11-3-4-15(13-25)20(26)24-22-23-18-10-5-14(21(27)31-2)12-19(18)32-22/h5-10,12,15H,3-4,11,13H2,1-2H3,(H,23,24,26)