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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-(6-mesyl-1,3-benzothiazol-2-yl)propionamide Formula: C18H16N2O5S2 MolecularWeight: 404.46004

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H16N2O5S2/c1-27(22,23)12-4-5-13-16(9-12)26-18(19-13)20-17(21)7-3-11-2-6-14-15(8-11)25-10-24-14/h2,4-6,8-9H,3,7,10H2,1H3,(H,19,20,21)