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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC(=CC=C4)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC(=CC=C4)S(=O)(=O)C)C

InChI

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