4-methyl-N-(3-methylbutyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-methyl-N-(3-methylbutyl)-3-nitro-benzenesulfonamide Openeye Name: N-isopentyl-4-methyl-3-nitro-benzenesulfonamide CAS Name: 4-methyl-N-(3-methylbutyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-methyl-N-(3-methylbutyl)-3-nitrobenzenesulfonamide Traditional Name: N-isoamyl-4-methyl-3-nitro-benzenesulfonamide Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C12H18N2O4S/c1-9(2)6-7-13-19(17,18)11-5-4-10(3)12(8-11)14(15)16/h4-5,8-9,13H,6-7H2,1-3H3