3-chloranyl-4-methyl-5-nitro-N-pentan-3-yl-benzenesulfonamide

Systemtic Name: 3-chloranyl-4-methyl-5-nitro-N-pentan-3-yl-benzenesulfonamide Openeye Name: 3-chloro-N-(1-ethylpropyl)-4-methyl-5-nitro-benzenesulfonamide CAS Name: 3-chloro-4-methyl-5-nitro-N-pentan-3-ylbenzenesulfonamide IUPAC Name: 3-chloro-4-methyl-5-nitro-N-pentan-3-ylbenzenesulfonamide Traditional Name: 3-chloro-N-(1-ethylpropyl)-4-methyl-5-nitro-benzenesulfonamide Formula: C12H17ClN2O4S MolecularWeight: 320.79238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClN2O4S/c1-4-9(5-2)14-20(18,19)10-6-11(13)8(3)12(7-10)15(16)17/h6-7,9,14H,4-5H2,1-3H3