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

Systemtic Name: methyl 2-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[1-(p-tolylsulfonyl)piperidine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(1-tosylnipecotoyl)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)N2CCCC(C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=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/C22H23N3O5S2/c1-14-5-8-17(9-6-14)32(28,29)25-11-3-4-16(13-25)20(26)24-22-23-18-10-7-15(21(27)30-2)12-19(18)31-22/h5-10,12,16H,3-4,11,13H2,1-2H3,(H,23,24,26)