N-(4-butylphenyl)-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(4-butylphenyl)-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-(4-butylphenyl)-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-(4-butylphenyl)-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-(4-butylphenyl)-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-(4-butylphenyl)-2-methyl-5-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=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4S/c1-3-4-5-14-7-9-15(10-8-14)18-24(22,23)17-12-16(19(20)21)11-6-13(17)2/h6-12,18H,3-5H2,1-2H3