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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitro-benzenesulfonamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitro-benzenesulfonamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzenesulfonamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzenesulfonamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-3-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/c1-9-4-2-7-12-13(9)15-14(22-12)16-23(20,21)11-6-3-5-10(8-11)17(18)19/h2-8H,1H3,(H,15,16)