N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitro-4-oxidanyl-benzenesulfonamide

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: 4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitro-benzenesulfonamide CAS Name: 4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitrobenzenesulfonamide IUPAC Name: 4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitrobenzenesulfonamide Traditional Name: 4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitro-benzenesulfonamide Formula: C14H11N3O5S2 MolecularWeight: 365.38424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O5S2/c1-8-15-11-4-2-9(6-14(11)23-8)16-24(21,22)10-3-5-13(18)12(7-10)17(19)20/h2-7,16,18H,1H3