1,3-benzothiazol-2-ylmethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-morpholino-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-morpholino-5-piperidinosulfonyl-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C24H27N3O5S2 MolecularWeight: 501.61828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H27N3O5S2/c28-24(32-17-23-25-20-6-2-3-7-22(20)33-23)19-16-18(34(29,30)27-10-4-1-5-11-27)8-9-21(19)26-12-14-31-15-13-26/h2-3,6-9,16H,1,4-5,10-15,17H2