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

Systemtic Name: N-(2-bromoethyl)-N-(2-isothiocyanato-4-methoxy-phenyl)-4-methyl-benzenesulfonamide Openeye Name: N-(2-bromoethyl)-N-(2-isothiocyanato-4-methoxy-phenyl)-4-methyl-benzenesulfonamide CAS Name: N-(2-bromoethyl)-N-(2-isothiocyanato-4-methoxyphenyl)-4-methylbenzenesulfonamide IUPAC Name: N-(2-bromoethyl)-N-(2-isothiocyanato-4-methoxyphenyl)-4-methylbenzenesulfonamide Traditional Name: N-(2-bromoethyl)-N-(2-isothiocyanato-4-methoxy-phenyl)-4-methyl-benzenesulfonamide Formula: C17H17BrN2O3S2 MolecularWeight: 441.36248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCBr)C2=C(C=C(C=C2)OC)N=C=S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCBr)C2=C(C=C(C=C2)OC)N=C=S

InChI

InChI=1S/C17H17BrN2O3S2/c1-13-3-6-15(7-4-13)25(21,22)20(10-9-18)17-8-5-14(23-2)11-16(17)19-12-24/h3-8,11H,9-10H2,1-2H3