2-(1,3-benzodioxol-5-yl)-N-oxidanyl-2-(phenylmethylsulfanyl)ethanamine oxide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-oxidanyl-2-(phenylmethylsulfanyl)ethanamine oxide Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-benzylsulfanyl-N-hydroxy-ethanamine oxide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-hydroxy-2-(phenylmethylthio)ethanamine oxide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-benzylsulfanyl-N-hydroxyethanamine oxide Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-(benzylthio)-N-hydroxy-ethanamine oxide Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C[NH+](O)[O-])SCC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C[NH+](O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C16H17NO4S/c18-17(19)9-16(22-10-12-4-2-1-3-5-12)13-6-7-14-15(8-13)21-11-20-14/h1-8,16-18H,9-11H2