N-(2-chloranyl-1-phenyl-ethyl)-4-methyl-N,3-dinitro-benzenesulfonamide

Systemtic Name: N-(2-chloranyl-1-phenyl-ethyl)-4-methyl-N,3-dinitro-benzenesulfonamide Openeye Name: N-(2-chloro-1-phenyl-ethyl)-4-methyl-N,3-dinitro-benzenesulfonamide CAS Name: N-(2-chloro-1-phenylethyl)-4-methyl-N,3-dinitrobenzenesulfonamide IUPAC Name: N-(2-chloro-1-phenylethyl)-4-methyl-N,3-dinitrobenzenesulfonamide Traditional Name: N-(2-chloro-1-phenyl-ethyl)-4-methyl-N,3-dinitro-benzenesulfonamide Formula: C15H14ClN3O6S MolecularWeight: 399.80616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C(CCl)C2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C(CCl)C2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H14ClN3O6S/c1-11-7-8-13(9-14(11)18(20)21)26(24,25)17(19(22)23)15(10-16)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3