6-[2-azanyl-4-(1,3-benzodioxol-5-yl)-3-methyl-1-oxidanyl-butyl]-2-(methylsulfonylmethyl)pyridin-3-ol

Systemtic Name: 6-[2-azanyl-4-(1,3-benzodioxol-5-yl)-3-methyl-1-oxidanyl-butyl]-2-(methylsulfonylmethyl)pyridin-3-ol Openeye Name: 6-[2-amino-4-(1,3-benzodioxol-5-yl)-1-hydroxy-3-methyl-butyl]-2-(methylsulfonylmethyl)pyridin-3-ol CAS Name: 6-[2-amino-4-(1,3-benzodioxol-5-yl)-1-hydroxy-3-methylbutyl]-2-(methylsulfonylmethyl)-3-pyridinol IUPAC Name: 6-[2-amino-4-(1,3-benzodioxol-5-yl)-1-hydroxy-3-methylbutyl]-2-(methylsulfonylmethyl)pyridin-3-ol Traditional Name: 6-[2-amino-4-(1,3-benzodioxol-5-yl)-1-hydroxy-3-methyl-butyl]-2-(mesylmethyl)pyridin-3-ol Formula: C19H24N2O6S MolecularWeight: 408.46866

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OCO2)C(C(C3=NC(=C(C=C3)O)CS(=O)(=O)C)O)N

Isomeric SMILES

CC(CC1=CC2=C(C=C1)OCO2)C(C(C3=NC(=C(C=C3)O)CS(=O)(=O)C)O)N

InChI

InChI=1S/C19H24N2O6S/c1-11(7-12-3-6-16-17(8-12)27-10-26-16)18(20)19(23)13-4-5-15(22)14(21-13)9-28(2,24)25/h3-6,8,11,18-19,22-23H,7,9-10,20H2,1-2H3