N,N-diethyl-4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[[2-(p-tolyl)oxazol-4-yl]methoxy]benzenesulfonamide CAS Name: N,N-diethyl-4-[[2-(4-methylphenyl)-4-oxazolyl]methoxy]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[[2-(p-tolyl)oxazol-4-yl]methoxy]benzenesulfonamide Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC2=COC(=N2)C3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC2=COC(=N2)C3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6S/c1-4-23(5-2)31(27,28)18-10-11-20(19(12-18)24(25)26)29-13-17-14-30-21(22-17)16-8-6-15(3)7-9-16/h6-12,14H,4-5,13H2,1-3H3