4-(4-methylphenyl)sulfonyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide Openeye Name: N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-4-(p-tolylsulfonyl)butanamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]butanamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide Traditional Name: N-(4-mesyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-4-tosyl-butyramide Formula: C25H31N3O6S3 MolecularWeight: 565.72514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

InChI

InChI=1S/C25H31N3O6S3/c1-19-8-10-20(11-9-19)37(32,33)18-4-7-23(29)28(13-12-27-14-16-34-17-15-27)25-26-24-21(35-25)5-3-6-22(24)36(2,30)31/h3,5-6,8-11H,4,7,12-18H2,1-2H3