N-butan-2-yl-2,3-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-butan-2-yl-2,3-dimethyl-5-nitro-benzenesulfonamide Openeye Name: 2,3-dimethyl-5-nitro-N-sec-butyl-benzenesulfonamide CAS Name: N-butan-2-yl-2,3-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-butan-2-yl-2,3-dimethyl-5-nitrobenzenesulfonamide Traditional Name: 2,3-dimethyl-5-nitro-N-sec-butyl-benzenesulfonamide Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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