N-[(2S)-3-[2,4-bis(chloranyl)phenoxy]-2-oxidanyl-propyl]-N-phenethyl-sulfamate

Systemtic Name: N-[(2S)-3-[2,4-bis(chloranyl)phenoxy]-2-oxidanyl-propyl]-N-phenethyl-sulfamate Openeye Name: N-[(2S)-3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-N-phenethyl-sulfamate CAS Name: N-[(2S)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-N-phenethylsulfamate IUPAC Name: N-[(2S)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-N-phenethylsulfamate Traditional Name: N-[(2S)-3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-N-phenethyl-sulfamate Formula: C17H18Cl2NO5S- MolecularWeight: 419.29952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19Cl2NO5S/c18-14-6-7-17(16(19)10-14)25-12-15(21)11-20(26(22,23)24)9-8-13-4-2-1-3-5-13/h1-7,10,15,21H,8-9,11-12H2,(H,22,23,24)/p-1/t15-/m0/s1