4-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methylamino]piperidine-1-carboxylic acid

Systemtic Name: 4-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methylamino]piperidine-1-carboxylic acid Openeye Name: 4-[[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]phenyl]methylamino]piperidine-1-carboxylic acid CAS Name: 4-[[2-[(5-bromo-2-methoxyphenyl)methylthio]phenyl]methylamino]-1-piperidinecarboxylic acid IUPAC Name: 4-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]methylamino]piperidine-1-carboxylic acid Traditional Name: 4-[[2-[(5-bromo-2-methoxy-benzyl)thio]benzyl]amino]piperidine-1-carboxylic acid Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2CNC3CCN(CC3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2CNC3CCN(CC3)C(=O)O

InChI

InChI=1S/C21H25BrN2O3S/c1-27-19-7-6-17(22)12-16(19)14-28-20-5-3-2-4-15(20)13-23-18-8-10-24(11-9-18)21(25)26/h2-7,12,18,23H,8-11,13-14H2,1H3,(H,25,26)