4-chloranyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[(3,5-dimethylisoxazol-4-yl)methyl]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[(3,5-dimethyl-4-isoxazolyl)methyl]-N-(2,4-dimethylphenyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2,4-dimethylphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[(3,5-dimethylisoxazol-4-yl)methyl]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide Formula: C20H20ClN3O5S MolecularWeight: 449.9079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CC2=C(ON=C2C)C)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N(CC2=C(ON=C2C)C)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C20H20ClN3O5S/c1-12-5-8-19(13(2)9-12)23(11-17-14(3)22-29-15(17)4)30(27,28)16-6-7-18(21)20(10-16)24(25)26/h5-10H,11H2,1-4H3