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

Systemtic Name: 2-azanyl-N-(1,3-benzodioxol-5-yl)-4-methylsulfonyl-butanamide Openeye Name: 2-amino-N-(1,3-benzodioxol-5-yl)-4-methylsulfonyl-butanamide CAS Name: 2-amino-N-(1,3-benzodioxol-5-yl)-4-methylsulfonylbutanamide IUPAC Name: 2-amino-N-(1,3-benzodioxol-5-yl)-4-methylsulfonylbutanamide Traditional Name: 2-amino-N-(1,3-benzodioxol-5-yl)-4-mesyl-butyramide Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)NC1=CC2=C(C=C1)OCO2)N

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)NC1=CC2=C(C=C1)OCO2)N

InChI

InChI=1S/C12H16N2O5S/c1-20(16,17)5-4-9(13)12(15)14-8-2-3-10-11(6-8)19-7-18-10/h2-3,6,9H,4-5,7,13H2,1H3,(H,14,15)