N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-ethylsulfonyl-N-(3-morpholinopropyl)benzamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-ethylsulfonyl-N-[3-(4-morpholinyl)propyl]benzamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-esyl-N-(3-morpholinopropyl)benzamide Formula: C25H31N3O4S2 MolecularWeight: 501.66134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)N(CCCN2CCOCC2)C3=NC4=C(S3)C=CC(=C4C)C

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)N(CCCN2CCOCC2)C3=NC4=C(S3)C=CC(=C4C)C

InChI

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