N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-(3-morpholinopropyl)benzamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-[3-(4-morpholinyl)propyl]benzamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide Traditional Name: N-(4,7-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=C2C(=C(C=C1)C)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=CC=C4S(=O)(=O)C

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=CC=C4S(=O)(=O)C

InChI

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