N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide

Systemtic Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide Openeye Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfonyl-N-(3-morpholinopropyl)benzamide CAS Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfonyl-N-[3-(4-morpholinyl)propyl]benzamide IUPAC Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide Traditional Name: 2-esyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)benzamide Formula: C25H31N3O4S2 MolecularWeight: 501.66134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=CC=C4S(=O)(=O)CC

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=CC=C4S(=O)(=O)CC

InChI

InChI=1S/C25H31N3O4S2/c1-3-19-9-7-11-21-23(19)26-25(33-21)28(14-8-13-27-15-17-32-18-16-27)24(29)20-10-5-6-12-22(20)34(30,31)4-2/h5-7,9-12H,3-4,8,13-18H2,1-2H3