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

Systemtic Name: 3-chloranyl-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-N,4-dimethyl-N-[(5-methylisoxazol-3-yl)methyl]-5-nitro-benzenesulfonamide CAS Name: 3-chloro-N,4-dimethyl-N-[(5-methyl-3-isoxazolyl)methyl]-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-N,4-dimethyl-N-[(5-methylisoxazol-3-yl)methyl]-5-nitro-benzenesulfonamide Formula: C13H14ClN3O5S MolecularWeight: 359.78536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN(C)S(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=CC(=NO1)CN(C)S(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C13H14ClN3O5S/c1-8-4-10(15-22-8)7-16(3)23(20,21)11-5-12(14)9(2)13(6-11)17(18)19/h4-6H,7H2,1-3H3