4-azanyl-N-ethyl-N-(2-methylpropyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-azanyl-N-ethyl-N-(2-methylpropyl)-3-nitro-benzenesulfonamide Openeye Name: 4-amino-N-ethyl-N-isobutyl-3-nitro-benzenesulfonamide CAS Name: 4-amino-N-ethyl-N-(2-methylpropyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-amino-N-ethyl-N-(2-methylpropyl)-3-nitrobenzenesulfonamide Traditional Name: 4-amino-N-ethyl-N-isobutyl-3-nitro-benzenesulfonamide Formula: C12H19N3O4S MolecularWeight: 301.36196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O4S/c1-4-14(8-9(2)3)20(18,19)10-5-6-11(13)12(7-10)15(16)17/h5-7,9H,4,8,13H2,1-3H3