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

Systemtic Name: N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-nitro-benzenesulfonamide Openeye Name: N-methyl-N-[(5-methylisoxazol-3-yl)methyl]-4-nitro-benzenesulfonamide CAS Name: N-methyl-N-[(5-methyl-3-isoxazolyl)methyl]-4-nitrobenzenesulfonamide IUPAC Name: N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-nitrobenzenesulfonamide Traditional Name: N-methyl-N-[(5-methylisoxazol-3-yl)methyl]-4-nitro-benzenesulfonamide Formula: C12H13N3O5S MolecularWeight: 311.31372

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O5S/c1-9-7-10(13-20-9)8-14(2)21(18,19)12-5-3-11(4-6-12)15(16)17/h3-7H,8H2,1-2H3