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

Systemtic Name: methyl 2-[[1-(3-methylsulfonylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[1-(3-methylsulfonylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carbonyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[1-(3-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(=C4)S(=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(=C4)S(=O)(=O)C

InChI

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