4-[2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]ethyl]-2-methylsulfonyl-phenol

Systemtic Name: 4-[2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]ethyl]-2-methylsulfonyl-phenol Openeye Name: 4-[2-[[2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]amino]ethyl]-2-methylsulfonyl-phenol CAS Name: 4-[2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]ethyl]-2-methylsulfonylphenol IUPAC Name: 4-[2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]ethyl]-2-methylsulfonylphenol Traditional Name: 4-[2-[[2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]amino]ethyl]-2-mesyl-phenol Formula: C19H23NO5S MolecularWeight: 377.45462

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OCO2)NCCC3=CC(=C(C=C3)O)S(=O)(=O)C

Isomeric SMILES

CC(CC1=CC2=C(C=C1)OCO2)NCCC3=CC(=C(C=C3)O)S(=O)(=O)C

InChI

InChI=1S/C19H23NO5S/c1-13(9-15-4-6-17-18(10-15)25-12-24-17)20-8-7-14-3-5-16(21)19(11-14)26(2,22)23/h3-6,10-11,13,20-21H,7-9,12H2,1-2H3