ethyl 4-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-chloranyl-phenyl]methylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-chloranyl-phenyl]methylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-chloro-phenyl]methylamino]piperidine-1-carboxylate CAS Name: 4-[[2-[(5-bromo-2-methoxyphenyl)methylthio]-3-chlorophenyl]methylamino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-chlorophenyl]methylamino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(5-bromo-2-methoxy-benzyl)thio]-3-chloro-benzyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C23H28BrClN2O3S MolecularWeight: 527.90202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NCC2=C(C(=CC=C2)Cl)SCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NCC2=C(C(=CC=C2)Cl)SCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C23H28BrClN2O3S/c1-3-30-23(28)27-11-9-19(10-12-27)26-14-16-5-4-6-20(25)22(16)31-15-17-13-18(24)7-8-21(17)29-2/h4-8,13,19,26H,3,9-12,14-15H2,1-2H3