N-methyl-2-nitro-N-pentan-3-yl-benzenesulfonamide

Systemtic Name: N-methyl-2-nitro-N-pentan-3-yl-benzenesulfonamide Openeye Name: N-(1-ethylpropyl)-N-methyl-2-nitro-benzenesulfonamide CAS Name: N-methyl-2-nitro-N-pentan-3-ylbenzenesulfonamide IUPAC Name: N-methyl-2-nitro-N-pentan-3-ylbenzenesulfonamide Traditional Name: N-(1-ethylpropyl)-N-methyl-2-nitro-benzenesulfonamide Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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