(2R)-2-acetamido-N-(1,3-benzodioxol-5-yl)-4-methylsulfonyl-butanamide

Systemtic Name: (2R)-2-acetamido-N-(1,3-benzodioxol-5-yl)-4-methylsulfonyl-butanamide Openeye Name: (2R)-2-acetamido-N-(1,3-benzodioxol-5-yl)-4-methylsulfonyl-butanamide CAS Name: (2R)-2-acetamido-N-(1,3-benzodioxol-5-yl)-4-methylsulfonylbutanamide IUPAC Name: (2R)-2-acetamido-N-(1,3-benzodioxol-5-yl)-4-methylsulfonylbutanamide Traditional Name: (2R)-2-acetamido-N-(1,3-benzodioxol-5-yl)-4-mesyl-butyramide Formula: C14H18N2O6S MolecularWeight: 342.36752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCS(=O)(=O)C)C(=O)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(=O)N[C@H](CCS(=O)(=O)C)C(=O)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C14H18N2O6S/c1-9(17)15-11(5-6-23(2,19)20)14(18)16-10-3-4-12-13(7-10)22-8-21-12/h3-4,7,11H,5-6,8H2,1-2H3,(H,15,17)(H,16,18)/t11-/m1/s1