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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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