N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[[3-(2-furylmethoxymethyl)phenyl]methyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[[3-(2-furanylmethoxymethyl)phenyl]methyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: [3-(2-furfuryloxymethyl)benzyl]-(4-mesyl-2-nitro-phenyl)amine Formula: C20H20N2O6S MolecularWeight: 416.4476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC(=CC=C2)COCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC(=CC=C2)COCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6S/c1-29(25,26)18-7-8-19(20(11-18)22(23)24)21-12-15-4-2-5-16(10-15)13-27-14-17-6-3-9-28-17/h2-11,21H,12-14H2,1H3