N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propionamide Formula: C20H22N2O6S2 MolecularWeight: 450.52848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H22N2O6S2/c1-26-15-9-12(10-16(27-2)19(15)28-3)5-8-18(23)22-20-21-14-7-6-13(30(4,24)25)11-17(14)29-20/h6-7,9-11H,5,8H2,1-4H3,(H,21,22,23)