2-[[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-ethanoyl-amino]sulfanylethyl nitrate

Systemtic Name: 2-[[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-ethanoyl-amino]sulfanylethyl nitrate Openeye Name: 2-[N-acetyl-4-[3-(tert-butylamino)-2-hydroxy-propoxy]anilino]sulfanylethyl nitrate CAS Name: nitric acid 2-[[N-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]anilino]thio]ethyl ester IUPAC Name: 2-[N-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]anilino]sulfanylethyl nitrate Traditional Name: nitric acid 2-[[N-acetyl-4-[3-(tert-butylamino)-2-hydroxy-propoxy]anilino]thio]ethyl ester Formula: C17H27N3O6S MolecularWeight: 401.47778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=C(C=C1)OCC(CNC(C)(C)C)O)SCCO[N+](=O)[O-]

Isomeric SMILES

CC(=O)N(C1=CC=C(C=C1)OCC(CNC(C)(C)C)O)SCCO[N+](=O)[O-]

InChI

InChI=1S/C17H27N3O6S/c1-13(21)19(27-10-9-26-20(23)24)14-5-7-16(8-6-14)25-12-15(22)11-18-17(2,3)4/h5-8,15,18,22H,9-12H2,1-4H3