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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-benzenesulfonamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-benzenesulfonamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzenesulfonamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitrobenzenesulfonamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-4-nitro-benzenesulfonamide Formula: C14H11N3O6S3 MolecularWeight: 413.44864

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O6S3/c1-25(20,21)11-6-7-12-13(8-11)24-14(15-12)16-26(22,23)10-4-2-9(3-5-10)17(18)19/h2-8H,1H3,(H,15,16)