3-[2-[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidin-1-yl]ethyl]-1-methylsulfonyl-piperidine

Systemtic Name: 3-[2-[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidin-1-yl]ethyl]-1-methylsulfonyl-piperidine Openeye Name: 3-[2-[4-[(2-bromo-5-methoxy-phenyl)methyl]-1-piperidyl]ethyl]-1-methylsulfonyl-piperidine CAS Name: 3-[2-[4-[(2-bromo-5-methoxyphenyl)methyl]-1-piperidinyl]ethyl]-1-methylsulfonylpiperidine IUPAC Name: 3-[2-[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]ethyl]-1-methylsulfonylpiperidine Traditional Name: 3-[2-[4-(2-bromo-5-methoxy-benzyl)piperidino]ethyl]-1-mesyl-piperidine Formula: C21H33BrN2O3S MolecularWeight: 473.46732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)CCC3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)CCC3CCCN(C3)S(=O)(=O)C

InChI

InChI=1S/C21H33BrN2O3S/c1-27-20-5-6-21(22)19(15-20)14-17-7-11-23(12-8-17)13-9-18-4-3-10-24(16-18)28(2,25)26/h5-6,15,17-18H,3-4,7-14,16H2,1-2H3