4-butoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide

Systemtic Name: 4-butoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide Openeye Name: 4-butoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)benzamide CAS Name: 4-butoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]benzamide IUPAC Name: 4-butoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: 4-butoxy-N-(6-mesyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)benzamide Formula: C25H31N3O5S2 MolecularWeight: 517.66074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C25H31N3O5S2/c1-3-4-15-33-20-7-5-19(6-8-20)24(29)28(12-11-27-13-16-32-17-14-27)25-26-22-10-9-21(35(2,30)31)18-23(22)34-25/h5-10,18H,3-4,11-17H2,1-2H3