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

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitro-benzenesulfonamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitro-benzenesulfonamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitrobenzenesulfonamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitrobenzenesulfonamide Traditional Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitro-benzenesulfonamide Formula: C14H11N3O4S2 MolecularWeight: 349.38484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O4S2/c1-9-15-13-6-5-10(7-14(13)22-9)16-23(20,21)12-4-2-3-11(8-12)17(18)19/h2-8,16H,1H3