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

Systemtic Name: 4-[2-(1,3-benzodioxol-5-yl)-2-(propan-2-ylamino)ethyl]-2-(methylsulfonylmethyl)phenol Openeye Name: 4-[2-(1,3-benzodioxol-5-yl)-2-(isopropylamino)ethyl]-2-(methylsulfonylmethyl)phenol CAS Name: 4-[2-(1,3-benzodioxol-5-yl)-2-(propan-2-ylamino)ethyl]-2-(methylsulfonylmethyl)phenol IUPAC Name: 4-[2-(1,3-benzodioxol-5-yl)-2-(propan-2-ylamino)ethyl]-2-(methylsulfonylmethyl)phenol Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)-2-(isopropylamino)ethyl]-2-(mesylmethyl)phenol Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(CC1=CC(=C(C=C1)O)CS(=O)(=O)C)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)NC(CC1=CC(=C(C=C1)O)CS(=O)(=O)C)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H25NO5S/c1-13(2)21-17(15-5-7-19-20(10-15)26-12-25-19)9-14-4-6-18(22)16(8-14)11-27(3,23)24/h4-8,10,13,17,21-22H,9,11-12H2,1-3H3