ethyl 4-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]phenyl]methylamino]piperidine-1-carboxylate CAS Name: 4-[[2-[(5-bromo-2-methoxyphenyl)methylthio]phenyl]methylamino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]methylamino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(5-bromo-2-methoxy-benzyl)thio]benzyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C23H29BrN2O3S MolecularWeight: 493.45696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NCC2=CC=CC=C2SCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NCC2=CC=CC=C2SCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C23H29BrN2O3S/c1-3-29-23(27)26-12-10-20(11-13-26)25-15-17-6-4-5-7-22(17)30-16-18-14-19(24)8-9-21(18)28-2/h4-9,14,20,25H,3,10-13,15-16H2,1-2H3