N-(2,6-diethylphenyl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(2,6-diethylphenyl)-3-nitro-benzenesulfonamide Openeye Name: N-(2,6-diethylphenyl)-3-nitro-benzenesulfonamide CAS Name: N-(2,6-diethylphenyl)-3-nitrobenzenesulfonamide IUPAC Name: N-(2,6-diethylphenyl)-3-nitrobenzenesulfonamide Traditional Name: N-(2,6-diethylphenyl)-3-nitro-benzenesulfonamide Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O4S/c1-3-12-7-5-8-13(4-2)16(12)17-23(21,22)15-10-6-9-14(11-15)18(19)20/h5-11,17H,3-4H2,1-2H3