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

Systemtic Name: methyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[1-(4-methoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[1-(4-methoxyphenyl)sulfonylisonipecotoyl]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)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H23N3O6S2/c1-30-16-4-6-17(7-5-16)33(28,29)25-11-9-14(10-12-25)20(26)24-22-23-18-8-3-15(21(27)31-2)13-19(18)32-22/h3-8,13-14H,9-12H2,1-2H3,(H,23,24,26)