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

Systemtic Name: methyl 2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(1-tosylisonipecotoyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=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/C22H23N3O5S2/c1-14-3-6-17(7-4-14)32(28,29)25-11-9-15(10-12-25)20(26)24-22-23-18-8-5-16(21(27)30-2)13-19(18)31-22/h3-8,13,15H,9-12H2,1-2H3,(H,23,24,26)