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

Systemtic Name: N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonyl-ethanamide Openeye Name: 2-benzylsulfonyl-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonylacetamide IUPAC Name: 2-benzylsulfonyl-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-benzylsulfonyl-N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)acetamide Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4S2/c1-18(2)8-13-16(14(21)9-18)25-17(19-13)20-15(22)11-26(23,24)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,19,20,22)