N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-benzylsulfonyl-N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)butyramide Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H24N2O4S2/c1-20(2)11-15-18(16(23)12-20)27-19(21-15)22-17(24)9-6-10-28(25,26)13-14-7-4-3-5-8-14/h3-5,7-8H,6,9-13H2,1-2H3,(H,21,22,24)