3-nitro-N-(4-pentoxyphenyl)benzenesulfonamide

Systemtic Name: 3-nitro-N-(4-pentoxyphenyl)benzenesulfonamide Openeye Name: 3-nitro-N-(4-pentoxyphenyl)benzenesulfonamide CAS Name: 3-nitro-N-(4-pentoxyphenyl)benzenesulfonamide IUPAC Name: 3-nitro-N-(4-pentoxyphenyl)benzenesulfonamide Traditional Name: N-(4-amoxyphenyl)-3-nitro-benzenesulfonamide Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O5S/c1-2-3-4-12-24-16-10-8-14(9-11-16)18-25(22,23)17-7-5-6-15(13-17)19(20)21/h5-11,13,18H,2-4,12H2,1H3