4-butan-2-yl-N-(2-methyl-3-nitro-phenyl)benzenesulfonamide

Systemtic Name: 4-butan-2-yl-N-(2-methyl-3-nitro-phenyl)benzenesulfonamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-4-sec-butyl-benzenesulfonamide CAS Name: 4-butan-2-yl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide IUPAC Name: 4-butan-2-yl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide Traditional Name: N-(2-methyl-3-nitro-phenyl)-4-sec-butyl-benzenesulfonamide Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

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