2,3-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)-5-nitro-benzenesulfonamide

Systemtic Name: 2,3-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)-5-nitro-benzenesulfonamide Openeye Name: 2,3-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)-5-nitro-benzenesulfonamide CAS Name: 2,3-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)-5-nitrobenzenesulfonamide IUPAC Name: 2,3-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)-5-nitrobenzenesulfonamide Traditional Name: 2,3-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)-5-nitro-benzenesulfonamide Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC3=C(C=C2)OC(=N3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC3=C(C=C2)OC(=N3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O5S/c1-9-6-13(19(20)21)8-16(10(9)2)25(22,23)18-12-4-5-15-14(7-12)17-11(3)24-15/h4-8,18H,1-3H3