N-(4-butyl-2-methyl-phenyl)-2-nitro-benzenesulfonamide

Systemtic Name: N-(4-butyl-2-methyl-phenyl)-2-nitro-benzenesulfonamide Openeye Name: N-(4-butyl-2-methyl-phenyl)-2-nitro-benzenesulfonamide CAS Name: N-(4-butyl-2-methylphenyl)-2-nitrobenzenesulfonamide IUPAC Name: N-(4-butyl-2-methylphenyl)-2-nitrobenzenesulfonamide Traditional Name: N-(4-butyl-2-methyl-phenyl)-2-nitro-benzenesulfonamide Formula: C17H20N2O4S MolecularWeight: 348.4167

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4S/c1-3-4-7-14-10-11-15(13(2)12-14)18-24(22,23)17-9-6-5-8-16(17)19(20)21/h5-6,8-12,18H,3-4,7H2,1-2H3