4-methyl-3-nitro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 4-methyl-3-nitro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide Openeye Name: N-[[2-(isopropoxymethyl)phenyl]methyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: 4-methyl-3-nitro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 4-methyl-3-nitro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzenesulfonamide Traditional Name: N-[2-(isopropoxymethyl)benzyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C18H22N2O5S MolecularWeight: 378.44268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2COC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2COC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O5S/c1-13(2)25-12-16-7-5-4-6-15(16)11-19-26(23,24)17-9-8-14(3)18(10-17)20(21)22/h4-10,13,19H,11-12H2,1-3H3