N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-(3-morpholinopropyl)benzamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-[3-(4-morpholinyl)propyl]benzamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-mesyl-N-(3-morpholinopropyl)benzamide Formula: C24H29N3O4S2 MolecularWeight: 487.63476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=CC=C4S(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=CC=C4S(=O)(=O)C

InChI

InChI=1S/C24H29N3O4S2/c1-17-15-20-21(16-18(17)2)32-24(25-20)27(10-6-9-26-11-13-31-14-12-26)23(28)19-7-4-5-8-22(19)33(3,29)30/h4-5,7-8,15-16H,6,9-14H2,1-3H3