2-azanyl-5-(methylsulfonylmethyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-ol ethanoate

Systemtic Name: 2-azanyl-5-(methylsulfonylmethyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-ol ethanoate Openeye Name: 2-amino-6-benzyloxy-5-(methylsulfonylmethyl)tetralin-1-ol acetate CAS Name: 2-amino-5-(methylsulfonylmethyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-ol acetate IUPAC Name: 2-amino-5-(methylsulfonylmethyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-ol acetate Traditional Name: 2-amino-6-benzoxy-5-(mesylmethyl)tetralin-1-ol acetate Formula: C21H26NO6S- MolecularWeight: 420.49924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CS(=O)(=O)CC1=C(C=CC2=C1CCC(C2O)N)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)[O-].CS(=O)(=O)CC1=C(C=CC2=C1CCC(C2O)N)OCC3=CC=CC=C3

InChI

InChI=1S/C19H23NO4S.C2H4O2/c1-25(22,23)12-16-14-7-9-17(20)19(21)15(14)8-10-18(16)24-11-13-5-3-2-4-6-13;1-2(3)4/h2-6,8,10,17,19,21H,7,9,11-12,20H2,1H3;1H3,(H,3,4)/p-1