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

Systemtic Name: N,N-diethyl-4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[[2-(4-methoxyphenyl)oxazol-4-yl]methoxy]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[[2-(4-methoxyphenyl)-4-oxazolyl]methoxy]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[[2-(4-methoxyphenyl)oxazol-4-yl]methoxy]-3-nitro-benzenesulfonamide Formula: C21H23N3O7S MolecularWeight: 461.48822

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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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O7S/c1-4-23(5-2)32(27,28)18-10-11-20(19(12-18)24(25)26)30-13-16-14-31-21(22-16)15-6-8-17(29-3)9-7-15/h6-12,14H,4-5,13H2,1-3H3