N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-benzylsulfonyl-N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)OC)OC

Isomeric SMILES

CN1C2=CC(=C(C=C2SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C21H24N2O5S2/c1-23-16-12-17(27-2)18(28-3)13-19(16)29-21(23)22-20(24)10-7-11-30(25,26)14-15-8-5-4-6-9-15/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3