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

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitro-benzenesulfonamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitro-benzenesulfonamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzenesulfonamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzenesulfonamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitro-benzenesulfonamide Formula: C14H11N3O5S2 MolecularWeight: 365.38424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O5S2/c1-22-10-4-7-12-13(8-10)23-14(15-12)16-24(20,21)11-5-2-9(3-6-11)17(18)19/h2-8H,1H3,(H,15,16)