[1-[4-(methylsulfonylamino)phenoxy]-3-(propan-2-ylamino)propan-2-yl] 4-nitrooxybutanoate

Systemtic Name: [1-[4-(methylsulfonylamino)phenoxy]-3-(propan-2-ylamino)propan-2-yl] 4-nitrooxybutanoate Openeye Name: [1-[(isopropylamino)methyl]-2-[4-(methanesulfonamido)phenoxy]ethyl] 4-nitrooxybutanoate CAS Name: 4-nitrooxybutanoic acid [1-[4-(methanesulfonamido)phenoxy]-3-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-[4-(methanesulfonamido)phenoxy]-3-(propan-2-ylamino)propan-2-yl] 4-nitrooxybutanoate Traditional Name: 4-nitrooxybutyric acid [1-[(isopropylamino)methyl]-2-[4-(methanesulfonamido)phenoxy]ethyl] ester Formula: C17H27N3O8S MolecularWeight: 433.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=C(C=C1)NS(=O)(=O)C)OC(=O)CCCO[N+](=O)[O-]

Isomeric SMILES

CC(C)NCC(COC1=CC=C(C=C1)NS(=O)(=O)C)OC(=O)CCCO[N+](=O)[O-]

InChI

InChI=1S/C17H27N3O8S/c1-13(2)18-11-16(28-17(21)5-4-10-27-20(22)23)12-26-15-8-6-14(7-9-15)19-29(3,24)25/h6-9,13,16,18-19H,4-5,10-12H2,1-3H3