N-(3-chloranylbutan-2-yl)-4-methyl-N,3-dinitro-benzenesulfonamide

Systemtic Name: N-(3-chloranylbutan-2-yl)-4-methyl-N,3-dinitro-benzenesulfonamide Openeye Name: N-(2-chloro-1-methyl-propyl)-4-methyl-N,3-dinitro-benzenesulfonamide CAS Name: N-(3-chlorobutan-2-yl)-4-methyl-N,3-dinitrobenzenesulfonamide IUPAC Name: N-(3-chlorobutan-2-yl)-4-methyl-N,3-dinitrobenzenesulfonamide Traditional Name: N-(2-chloro-1-methyl-propyl)-4-methyl-N,3-dinitro-benzenesulfonamide Formula: C11H14ClN3O6S MolecularWeight: 351.76336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14ClN3O6S/c1-7-4-5-10(6-11(7)14(16)17)22(20,21)13(15(18)19)9(3)8(2)12/h4-6,8-9H,1-3H3