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

Systemtic Name: N-(4-butylphenyl)-3-nitro-benzenesulfonamide Openeye Name: N-(4-butylphenyl)-3-nitro-benzenesulfonamide CAS Name: N-(4-butylphenyl)-3-nitrobenzenesulfonamide IUPAC Name: N-(4-butylphenyl)-3-nitrobenzenesulfonamide Traditional Name: N-(4-butylphenyl)-3-nitro-benzenesulfonamide Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S/c1-2-3-5-13-8-10-14(11-9-13)17-23(21,22)16-7-4-6-15(12-16)18(19)20/h4,6-12,17H,2-3,5H2,1H3