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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-nitro-benzenesulfonamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-nitro-benzenesulfonamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzenesulfonamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzenesulfonamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-nitro-benzenesulfonamide Formula: C14H11N3O4S2 MolecularWeight: 349.38484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

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