3-(1,3-dioxan-2-yl)-4-nitro-1-[1-(phenylsulfonyl)pyrrol-3-yl]butan-1-one

Systemtic Name: 3-(1,3-dioxan-2-yl)-4-nitro-1-[1-(phenylsulfonyl)pyrrol-3-yl]butan-1-one Openeye Name: 1-[1-(benzenesulfonyl)pyrrol-3-yl]-3-(1,3-dioxan-2-yl)-4-nitro-butan-1-one CAS Name: 1-[1-(benzenesulfonyl)-3-pyrrolyl]-3-(1,3-dioxan-2-yl)-4-nitro-1-butanone IUPAC Name: 1-[1-(benzenesulfonyl)pyrrol-3-yl]-3-(1,3-dioxan-2-yl)-4-nitrobutan-1-one Traditional Name: 1-(1-besylpyrrol-3-yl)-3-(1,3-dioxan-2-yl)-4-nitro-butan-1-one Formula: C18H20N2O7S MolecularWeight: 408.4256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(OC1)C(CC(=O)C2=CN(C=C2)S(=O)(=O)C3=CC=CC=C3)C[N+](=O)[O-]

Isomeric SMILES

C1COC(OC1)C(CC(=O)C2=CN(C=C2)S(=O)(=O)C3=CC=CC=C3)C[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O7S/c21-17(11-15(13-20(22)23)18-26-9-4-10-27-18)14-7-8-19(12-14)28(24,25)16-5-2-1-3-6-16/h1-3,5-8,12,15,18H,4,9-11,13H2