N-(2,4-dimethylphenyl)-3-nitro-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-3-nitro-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-3-nitro-4-[[2-(2-thienyl)oxazol-4-yl]methylamino]benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-3-nitro-4-[(2-thiophen-2-yl-4-oxazolyl)methylamino]benzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-3-nitro-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]benzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-3-nitro-4-[[2-(2-thienyl)oxazol-4-yl]methylamino]benzenesulfonamide Formula: C22H20N4O5S2 MolecularWeight: 484.548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=COC(=N3)C4=CC=CS4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=COC(=N3)C4=CC=CS4)[N+](=O)[O-])C

InChI

InChI=1S/C22H20N4O5S2/c1-14-5-7-18(15(2)10-14)25-33(29,30)17-6-8-19(20(11-17)26(27)28)23-12-16-13-31-22(24-16)21-4-3-9-32-21/h3-11,13,23,25H,12H2,1-2H3