N-(2-bromoethyl)-N-(4-methoxy-2-nitro-phenyl)-4-methyl-benzenesulfonamide

Systemtic Name: N-(2-bromoethyl)-N-(4-methoxy-2-nitro-phenyl)-4-methyl-benzenesulfonamide Openeye Name: N-(2-bromoethyl)-N-(4-methoxy-2-nitro-phenyl)-4-methyl-benzenesulfonamide CAS Name: N-(2-bromoethyl)-N-(4-methoxy-2-nitrophenyl)-4-methylbenzenesulfonamide IUPAC Name: N-(2-bromoethyl)-N-(4-methoxy-2-nitrophenyl)-4-methylbenzenesulfonamide Traditional Name: N-(2-bromoethyl)-N-(4-methoxy-2-nitro-phenyl)-4-methyl-benzenesulfonamide Formula: C16H17BrN2O5S MolecularWeight: 429.28558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN2O5S/c1-12-3-6-14(7-4-12)25(22,23)18(10-9-17)15-8-5-13(24-2)11-16(15)19(20)21/h3-8,11H,9-10H2,1-2H3