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

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(6-mesyl-1,3-benzothiazol-2-yl)propionamide Formula: C18H16N2O6S2 MolecularWeight: 420.45944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@@H](C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H16N2O6S2/c1-10(26-11-3-6-14-15(7-11)25-9-24-14)17(21)20-18-19-13-5-4-12(28(2,22)23)8-16(13)27-18/h3-8,10H,9H2,1-2H3,(H,19,20,21)/t10-/m0/s1