5-nitro-2-(phenylsulfonyl)-1,3-benzothiazole

Systemtic Name: 5-nitro-2-(phenylsulfonyl)-1,3-benzothiazole Openeye Name: 2-(benzenesulfonyl)-5-nitro-1,3-benzothiazole CAS Name: 2-(benzenesulfonyl)-5-nitro-1,3-benzothiazole IUPAC Name: 2-(benzenesulfonyl)-5-nitro-1,3-benzothiazole Traditional Name: 2-besyl-5-nitro-1,3-benzothiazole Formula: C13H8N2O4S2 MolecularWeight: 320.34362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H8N2O4S2/c16-15(17)9-6-7-12-11(8-9)14-13(20-12)21(18,19)10-4-2-1-3-5-10/h1-8H