N-butyl-3-nitro-4-oxidanyl-N-(3-phenylpropyl)benzenesulfonamide

Systemtic Name: N-butyl-3-nitro-4-oxidanyl-N-(3-phenylpropyl)benzenesulfonamide Openeye Name: N-butyl-4-hydroxy-3-nitro-N-(3-phenylpropyl)benzenesulfonamide CAS Name: N-butyl-4-hydroxy-3-nitro-N-(3-phenylpropyl)benzenesulfonamide IUPAC Name: N-butyl-4-hydroxy-3-nitro-N-(3-phenylpropyl)benzenesulfonamide Traditional Name: N-butyl-4-hydroxy-3-nitro-N-(3-phenylpropyl)benzenesulfonamide Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CCCC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C19H24N2O5S/c1-2-3-13-20(14-7-10-16-8-5-4-6-9-16)27(25,26)17-11-12-19(22)18(15-17)21(23)24/h4-6,8-9,11-12,15,22H,2-3,7,10,13-14H2,1H3