6-bromanyl-4-[4-(4-methylsulfonylphenoxy)piperidin-1-yl]quinoline

Systemtic Name: 6-bromanyl-4-[4-(4-methylsulfonylphenoxy)piperidin-1-yl]quinoline Openeye Name: 6-bromo-4-[4-(4-methylsulfonylphenoxy)-1-piperidyl]quinoline CAS Name: 6-bromo-4-[4-(4-methylsulfonylphenoxy)-1-piperidinyl]quinoline IUPAC Name: 6-bromo-4-[4-(4-methylsulfonylphenoxy)piperidin-1-yl]quinoline Traditional Name: 6-bromo-4-[4-(4-mesylphenoxy)piperidino]quinoline Formula: C21H21BrN2O3S MolecularWeight: 461.37204

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)OC2CCN(CC2)C3=C4C=C(C=CC4=NC=C3)Br

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)OC2CCN(CC2)C3=C4C=C(C=CC4=NC=C3)Br

InChI

InChI=1S/C21H21BrN2O3S/c1-28(25,26)18-5-3-16(4-6-18)27-17-9-12-24(13-10-17)21-8-11-23-20-7-2-15(22)14-19(20)21/h2-8,11,14,17H,9-10,12-13H2,1H3