N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide

Systemtic Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide Openeye Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(3-morpholinopropyl)benzamide CAS Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-[3-(4-morpholinyl)propyl]benzamide IUPAC Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide Traditional Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-esyl-N-(3-morpholinopropyl)benzamide Formula: C25H31N3O4S2 MolecularWeight: 501.66134

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N(CCCN2CCOCC2)C3=NC4=CC(=CC(=C4S3)C)C

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N(CCCN2CCOCC2)C3=NC4=CC(=CC(=C4S3)C)C

InChI

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