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

Systemtic Name: methyl 2-[[1-(2-methylsulfonylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[1-(2-methylsulfonylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carbonyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[1-(2-mesylphenyl)sulfonylisonipecotoyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H23N3O7S3 MolecularWeight: 537.62892

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4S(=O)(=O)C

InChI

InChI=1S/C22H23N3O7S3/c1-32-21(27)15-7-8-16-17(13-15)33-22(23-16)24-20(26)14-9-11-25(12-10-14)35(30,31)19-6-4-3-5-18(19)34(2,28)29/h3-8,13-14H,9-12H2,1-2H3,(H,23,24,26)