N-[(2S)-3-(3-bromanylphenoxy)-2-oxidanyl-propyl]-N-phenethyl-sulfamate

Systemtic Name: N-[(2S)-3-(3-bromanylphenoxy)-2-oxidanyl-propyl]-N-phenethyl-sulfamate Openeye Name: N-[(2S)-3-(3-bromophenoxy)-2-hydroxy-propyl]-N-phenethyl-sulfamate CAS Name: N-[(2S)-3-(3-bromophenoxy)-2-hydroxypropyl]-N-phenethylsulfamate IUPAC Name: N-[(2S)-3-(3-bromophenoxy)-2-hydroxypropyl]-N-phenethylsulfamate Traditional Name: N-[(2S)-3-(3-bromophenoxy)-2-hydroxy-propyl]-N-phenethyl-sulfamate Formula: C17H19BrNO5S- MolecularWeight: 429.30546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC(COC2=CC(=CC=C2)Br)O)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN(C[C@@H](COC2=CC(=CC=C2)Br)O)S(=O)(=O)[O-]

InChI

InChI=1S/C17H20BrNO5S/c18-15-7-4-8-17(11-15)24-13-16(20)12-19(25(21,22)23)10-9-14-5-2-1-3-6-14/h1-8,11,16,20H,9-10,12-13H2,(H,21,22,23)/p-1/t16-/m0/s1