5-(methylsulfonylmethyl)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol ethanoate

Systemtic Name: 5-(methylsulfonylmethyl)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol ethanoate Openeye Name: 2-(isopropylamino)-5-(methylsulfonylmethyl)tetralin-1,6-diol acetate CAS Name: 5-(methylsulfonylmethyl)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol acetate IUPAC Name: 5-(methylsulfonylmethyl)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol acetate Traditional Name: 2-(isopropylamino)-5-(mesylmethyl)tetralin-1,6-diol acetate Formula: C17H26NO6S- MolecularWeight: 372.45644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1CCC2=C(C1O)C=CC(=C2CS(=O)(=O)C)O.CC(=O)[O-]

Isomeric SMILES

CC(C)NC1CCC2=C(C1O)C=CC(=C2CS(=O)(=O)C)O.CC(=O)[O-]

InChI

InChI=1S/C15H23NO4S.C2H4O2/c1-9(2)16-13-6-4-10-11(15(13)18)5-7-14(17)12(10)8-21(3,19)20;1-2(3)4/h5,7,9,13,15-18H,4,6,8H2,1-3H3;1H3,(H,3,4)/p-1