4-methyl-3-nitro-N-pentan-3-yl-benzenesulfonamide

Systemtic Name: 4-methyl-3-nitro-N-pentan-3-yl-benzenesulfonamide Openeye Name: N-(1-ethylpropyl)-4-methyl-3-nitro-benzenesulfonamide CAS Name: 4-methyl-3-nitro-N-pentan-3-ylbenzenesulfonamide IUPAC Name: 4-methyl-3-nitro-N-pentan-3-ylbenzenesulfonamide Traditional Name: N-(1-ethylpropyl)-4-methyl-3-nitro-benzenesulfonamide Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O4S/c1-4-10(5-2)13-19(17,18)11-7-6-9(3)12(8-11)14(15)16/h6-8,10,13H,4-5H2,1-3H3