N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide

Systemtic Name: N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide Openeye Name: N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)adamantane-1-carboxamide CAS Name: N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]-1-adamantanecarboxamide IUPAC Name: N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide Traditional Name: N-(4-mesyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)adamantane-1-carboxamide Formula: C25H33N3O4S2 MolecularWeight: 503.67722

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N(CCN3CCOCC3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N(CCN3CCOCC3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H33N3O4S2/c1-34(30,31)21-4-2-3-20-22(21)26-24(33-20)28(6-5-27-7-9-32-10-8-27)23(29)25-14-17-11-18(15-25)13-19(12-17)16-25/h2-4,17-19H,5-16H2,1H3