4-[4-(4-methylsulfonylphenoxy)piperidin-1-yl]-6-[3-methyl-1-(triphenylmethyl)pyrazol-4-yl]quinoline

Systemtic Name: 4-[4-(4-methylsulfonylphenoxy)piperidin-1-yl]-6-[3-methyl-1-(triphenylmethyl)pyrazol-4-yl]quinoline Openeye Name: 4-[4-(4-methylsulfonylphenoxy)-1-piperidyl]-6-(3-methyl-1-trityl-pyrazol-4-yl)quinoline CAS Name: 4-[4-(4-methylsulfonylphenoxy)-1-piperidinyl]-6-[3-methyl-1-(triphenylmethyl)-4-pyrazolyl]quinoline IUPAC Name: 4-[4-(4-methylsulfonylphenoxy)piperidin-1-yl]-6-(3-methyl-1-tritylpyrazol-4-yl)quinoline Traditional Name: 4-[4-(4-mesylphenoxy)piperidino]-6-(3-methyl-1-trityl-pyrazol-4-yl)quinoline Formula: C44H40N4O3S MolecularWeight: 704.8784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=CC3=C(C=CN=C3C=C2)N4CCC(CC4)OC5=CC=C(C=C5)S(=O)(=O)C)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

CC1=NN(C=C1C2=CC3=C(C=CN=C3C=C2)N4CCC(CC4)OC5=CC=C(C=C5)S(=O)(=O)C)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C44H40N4O3S/c1-32-41(31-48(46-32)44(34-12-6-3-7-13-34,35-14-8-4-9-15-35)36-16-10-5-11-17-36)33-18-23-42-40(30-33)43(24-27-45-42)47-28-25-38(26-29-47)51-37-19-21-39(22-20-37)52(2,49)50/h3-24,27,30-31,38H,25-26,28-29H2,1-2H3