N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-oxidanyl-benzenesulfonamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-hydroxy-3-nitro-benzenesulfonamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-hydroxy-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-hydroxy-3-nitrobenzenesulfonamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-hydroxy-3-nitro-benzenesulfonamide Formula: C19H13N3O5S2 MolecularWeight: 427.45362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=CC(=C(C=C4)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=CC(=C(C=C4)O)[N+](=O)[O-]

InChI

InChI=1S/C19H13N3O5S2/c23-17-10-9-12(11-16(17)22(24)25)29(26,27)21-14-6-2-1-5-13(14)19-20-15-7-3-4-8-18(15)28-19/h1-11,21,23H