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

Systemtic Name: [1-[4-(methylsulfonylamino)phenoxy]-3-(propan-2-ylamino)propan-2-yl] 4-(nitrooxymethyl)benzoate Openeye Name: [1-[(isopropylamino)methyl]-2-[4-(methanesulfonamido)phenoxy]ethyl] 4-(nitrooxymethyl)benzoate CAS Name: 4-(nitrooxymethyl)benzoic 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-(nitrooxymethyl)benzoate Traditional Name: 4-(nitrooxymethyl)benzoic acid [1-[(isopropylamino)methyl]-2-[4-(methanesulfonamido)phenoxy]ethyl] ester Formula: C21H27N3O8S MolecularWeight: 481.51938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=C(C=C1)NS(=O)(=O)C)OC(=O)C2=CC=C(C=C2)CO[N+](=O)[O-]

Isomeric SMILES

CC(C)NCC(COC1=CC=C(C=C1)NS(=O)(=O)C)OC(=O)C2=CC=C(C=C2)CO[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O8S/c1-15(2)22-12-20(14-30-19-10-8-18(9-11-19)23-33(3,28)29)32-21(25)17-6-4-16(5-7-17)13-31-24(26)27/h4-11,15,20,22-23H,12-14H2,1-3H3