methyl 2-[2-[(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[6-(1-piperidylsulfonyl)-1,3-benzothiazol-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[[6-(1-piperidinylsulfonyl)-1,3-benzothiazol-2-yl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(6-piperidinosulfonyl-1,3-benzothiazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C22H23N3O5S3 MolecularWeight: 505.63012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H23N3O5S3/c1-30-21(27)16-7-3-4-8-17(16)23-20(26)14-31-22-24-18-10-9-15(13-19(18)32-22)33(28,29)25-11-5-2-6-12-25/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,23,26)