4-(4-methylphenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-4-(p-tolylsulfonyl)butanamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]butanamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide Traditional Name: N-(6-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=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C25H31N3O6S3/c1-19-5-7-20(8-6-19)37(32,33)17-3-4-24(29)28(12-11-27-13-15-34-16-14-27)25-26-22-10-9-21(36(2,30)31)18-23(22)35-25/h5-10,18H,3-4,11-17H2,1-2H3