N-(3-methyl-4-nitro-1,2-oxazol-5-yl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide

Systemtic Name: N-(3-methyl-4-nitro-1,2-oxazol-5-yl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide Openeye Name: 2-(4-isobutylphenyl)-N-(3-methyl-4-nitro-isoxazol-5-yl)benzenesulfonamide CAS Name: N-(3-methyl-4-nitro-5-isoxazolyl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide IUPAC Name: N-(3-methyl-4-nitro-1,2-oxazol-5-yl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide Traditional Name: 2-(4-isobutylphenyl)-N-(3-methyl-4-nitro-isoxazol-5-yl)benzenesulfonamide Formula: C20H21N3O5S MolecularWeight: 415.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1[N+](=O)[O-])NS(=O)(=O)C2=CC=CC=C2C3=CC=C(C=C3)CC(C)C

Isomeric SMILES

CC1=NOC(=C1[N+](=O)[O-])NS(=O)(=O)C2=CC=CC=C2C3=CC=C(C=C3)CC(C)C

InChI

InChI=1S/C20H21N3O5S/c1-13(2)12-15-8-10-16(11-9-15)17-6-4-5-7-18(17)29(26,27)22-20-19(23(24)25)14(3)21-28-20/h4-11,13,22H,12H2,1-3H3