N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-ethyl-3-morpholinosulfonyl-benzamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-ethyl-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-ethyl-3-morpholinosulfonyl-benzamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)NC2=NC3=C(C=CC(=C3S2)C)C)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)NC2=NC3=C(C=CC(=C3S2)C)C)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H25N3O4S2/c1-4-16-7-8-17(13-18(16)31(27,28)25-9-11-29-12-10-25)21(26)24-22-23-19-14(2)5-6-15(3)20(19)30-22/h5-8,13H,4,9-12H2,1-3H3,(H,23,24,26)