N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(phenylsulfonyl)ethanamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(phenylsulfonyl)ethanamide Openeye Name: 2-(benzenesulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)acetamide CAS Name: 2-(benzenesulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]acetamide IUPAC Name: 2-(benzenesulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide Traditional Name: 2-besyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)acetamide 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)CS(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4S2/c1-18-15-19(2)23-21(16-18)32-24(25-23)27(10-6-9-26-11-13-31-14-12-26)22(28)17-33(29,30)20-7-4-3-5-8-20/h3-5,7-8,15-16H,6,9-14,17H2,1-2H3