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

Systemtic Name: N-[3-(1,3-dithian-2-yl)phenyl]-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-hydroxy-3-nitro-benzenesulfonamide CAS Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-hydroxy-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-hydroxy-3-nitrobenzenesulfonamide Traditional Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-hydroxy-3-nitro-benzenesulfonamide Formula: C16H16N2O5S3 MolecularWeight: 412.50364

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1CSC(SC1)C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O5S3/c19-15-6-5-13(10-14(15)18(20)21)26(22,23)17-12-4-1-3-11(9-12)16-24-7-2-8-25-16/h1,3-6,9-10,16-17,19H,2,7-8H2