2-methyl-N-(4-methyl-1-morpholin-4-yl-1-oxidanylidene-pentan-2-yl)-1,3-benzothiazole-6-sulfonamide

Systemtic Name: 2-methyl-N-(4-methyl-1-morpholin-4-yl-1-oxidanylidene-pentan-2-yl)-1,3-benzothiazole-6-sulfonamide Openeye Name: 2-methyl-N-[3-methyl-1-(morpholine-4-carbonyl)butyl]-1,3-benzothiazole-6-sulfonamide CAS Name: 2-methyl-N-[4-methyl-1-(4-morpholinyl)-1-oxopentan-2-yl]-1,3-benzothiazole-6-sulfonamide IUPAC Name: 2-methyl-N-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)-1,3-benzothiazole-6-sulfonamide Traditional Name: 2-methyl-N-[3-methyl-1-(morpholine-4-carbonyl)butyl]-1,3-benzothiazole-6-sulfonamide Formula: C18H25N3O4S2 MolecularWeight: 411.5388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(CC(C)C)C(=O)N3CCOCC3

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(CC(C)C)C(=O)N3CCOCC3

InChI

InChI=1S/C18H25N3O4S2/c1-12(2)10-16(18(22)21-6-8-25-9-7-21)20-27(23,24)14-4-5-15-17(11-14)26-13(3)19-15/h4-5,11-12,16,20H,6-10H2,1-3H3