4-[2-(5-methylsulfonylthiophen-2-yl)piperidin-1-yl]-6-[3-methyl-1-(triphenylmethyl)pyrazol-4-yl]quinazoline

Systemtic Name: 4-[2-(5-methylsulfonylthiophen-2-yl)piperidin-1-yl]-6-[3-methyl-1-(triphenylmethyl)pyrazol-4-yl]quinazoline Openeye Name: 4-[2-(5-methylsulfonyl-2-thienyl)-1-piperidyl]-6-(3-methyl-1-trityl-pyrazol-4-yl)quinazoline CAS Name: 4-[2-(5-methylsulfonyl-2-thiophenyl)-1-piperidinyl]-6-[3-methyl-1-(triphenylmethyl)-4-pyrazolyl]quinazoline IUPAC Name: 4-[2-(5-methylsulfonylthiophen-2-yl)piperidin-1-yl]-6-(3-methyl-1-tritylpyrazol-4-yl)quinazoline Traditional Name: 4-[2-(5-mesyl-2-thienyl)piperidino]-6-(3-methyl-1-trityl-pyrazol-4-yl)quinazoline Formula: C41H37N5O2S2 MolecularWeight: 695.89478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=CC3=C(C=C2)N=CN=C3N4CCCCC4C5=CC=C(S5)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=C2)N=CN=C3N4CCCCC4C5=CC=C(S5)S(=O)(=O)C)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C41H37N5O2S2/c1-29-35(27-46(44-29)41(31-14-6-3-7-15-31,32-16-8-4-9-17-32)33-18-10-5-11-19-33)30-21-22-36-34(26-30)40(43-28-42-36)45-25-13-12-20-37(45)38-23-24-39(49-38)50(2,47)48/h3-11,14-19,21-24,26-28,37H,12-13,20,25H2,1-2H3