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

Systemtic Name: 6-bromanyl-4-[4-(4-methylsulfonylphenoxy)piperidin-1-yl]quinazoline Openeye Name: 6-bromo-4-[4-(4-methylsulfonylphenoxy)-1-piperidyl]quinazoline CAS Name: 6-bromo-4-[4-(4-methylsulfonylphenoxy)-1-piperidinyl]quinazoline IUPAC Name: 6-bromo-4-[4-(4-methylsulfonylphenoxy)piperidin-1-yl]quinazoline Traditional Name: 6-bromo-4-[4-(4-mesylphenoxy)piperidino]quinazoline Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)OC2CCN(CC2)C3=NC=NC4=C3C=C(C=C4)Br

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)OC2CCN(CC2)C3=NC=NC4=C3C=C(C=C4)Br

InChI

InChI=1S/C20H20BrN3O3S/c1-28(25,26)17-5-3-15(4-6-17)27-16-8-10-24(11-9-16)20-18-12-14(21)2-7-19(18)22-13-23-20/h2-7,12-13,16H,8-11H2,1H3