4-butyl-N-(5-nitro-2-oxidanyl-phenyl)benzenesulfonamide

Systemtic Name: 4-butyl-N-(5-nitro-2-oxidanyl-phenyl)benzenesulfonamide Openeye Name: 4-butyl-N-(2-hydroxy-5-nitro-phenyl)benzenesulfonamide CAS Name: 4-butyl-N-(2-hydroxy-5-nitrophenyl)benzenesulfonamide IUPAC Name: 4-butyl-N-(2-hydroxy-5-nitrophenyl)benzenesulfonamide Traditional Name: 4-butyl-N-(2-hydroxy-5-nitro-phenyl)benzenesulfonamide Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H18N2O5S/c1-2-3-4-12-5-8-14(9-6-12)24(22,23)17-15-11-13(18(20)21)7-10-16(15)19/h5-11,17,19H,2-4H2,1H3