N-(4-azanyl-2-methyl-5-nitro-phenyl)-N-(2-bromoethyl)-4-methyl-benzenesulfonamide

Systemtic Name: N-(4-azanyl-2-methyl-5-nitro-phenyl)-N-(2-bromoethyl)-4-methyl-benzenesulfonamide Openeye Name: N-(4-amino-2-methyl-5-nitro-phenyl)-N-(2-bromoethyl)-4-methyl-benzenesulfonamide CAS Name: N-(4-amino-2-methyl-5-nitrophenyl)-N-(2-bromoethyl)-4-methylbenzenesulfonamide IUPAC Name: N-(4-amino-2-methyl-5-nitrophenyl)-N-(2-bromoethyl)-4-methylbenzenesulfonamide Traditional Name: N-(4-amino-2-methyl-5-nitro-phenyl)-N-(2-bromoethyl)-4-methyl-benzenesulfonamide Formula: C16H18BrN3O4S MolecularWeight: 428.30082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCBr)C2=CC(=C(C=C2C)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCBr)C2=CC(=C(C=C2C)N)[N+](=O)[O-]

InChI

InChI=1S/C16H18BrN3O4S/c1-11-3-5-13(6-4-11)25(23,24)19(8-7-17)15-10-16(20(21)22)14(18)9-12(15)2/h3-6,9-10H,7-8,18H2,1-2H3