N-(2,4-dimethylpentan-3-yl)-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-(2,4-dimethylpentan-3-yl)-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-(1-isopropyl-2-methyl-propyl)-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylpentan-3-yl)-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-(2,4-dimethylpentan-3-yl)-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-(1-isopropyl-2-methyl-propyl)-4-methyl-3-nitro-benzenesulfonamide Formula: C14H22N2O4S MolecularWeight: 314.40048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O4S/c1-9(2)14(10(3)4)15-21(19,20)12-7-6-11(5)13(8-12)16(17)18/h6-10,14-15H,1-5H3