2-[[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-ethanoyl-sulfinamoyl]ethyl nitrate

Systemtic Name: 2-[[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-ethanoyl-sulfinamoyl]ethyl nitrate Openeye Name: 2-[acetyl-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]sulfinamoyl]ethyl nitrate CAS Name: nitric acid 2-[acetyl-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]sulfinamoyl]ethyl ester IUPAC Name: 2-[acetyl-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]sulfinamoyl]ethyl nitrate Traditional Name: nitric acid 2-[acetyl-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]sulfinamoyl]ethyl ester Formula: C17H27N3O7S MolecularWeight: 417.47718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O7S/c1-13(21)19(28(25)10-9-27-20(23)24)14-5-7-16(8-6-14)26-12-15(22)11-18-17(2,3)4/h5-8,15,18,22H,9-12H2,1-4H3