N-[2-methyl-4-oxidanyl-5-(phenylsulfonyl)phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-methyl-4-oxidanyl-5-(phenylsulfonyl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[5-(benzenesulfonyl)-4-hydroxy-2-methyl-phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[5-(benzenesulfonyl)-4-hydroxy-2-methylphenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[5-(benzenesulfonyl)-4-hydroxy-2-methylphenyl]-3-nitrobenzenesulfonamide Traditional Name: N-(5-besyl-4-hydroxy-2-methyl-phenyl)-3-nitro-benzenesulfonamide Formula: C19H16N2O7S2 MolecularWeight: 448.46954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC(=C(C=C1NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C19H16N2O7S2/c1-13-10-18(22)19(29(25,26)15-7-3-2-4-8-15)12-17(13)20-30(27,28)16-9-5-6-14(11-16)21(23)24/h2-12,20,22H,1H3