N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonyl-propanamide

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonyl-propanamide Openeye Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonyl-propanamide CAS Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide IUPAC Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide Traditional Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonyl-propionamide Formula: C19H20N2O6S2 MolecularWeight: 436.5019

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(C=CC(=C3S2)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(C=CC(=C3S2)OC)OC

InChI

InChI=1S/C19H20N2O6S2/c1-25-12-4-6-13(7-5-12)29(23,24)11-10-16(22)20-19-21-17-14(26-2)8-9-15(27-3)18(17)28-19/h4-9H,10-11H2,1-3H3,(H,20,21,22)