1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-(4-methylsulfonylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-(4-methylsulfonylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-(4-methylsulfonylpiperazin-1-yl)butane-1,4-dione CAS Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-(4-methylsulfonyl-1-piperazinyl)butane-1,4-dione IUPAC Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-(4-methylsulfonylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(4-mesylpiperazino)-4-[(5R)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]butane-1,4-dione Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O5S/c1-34-21-10-8-20(9-11-21)23-18-22(19-6-4-3-5-7-19)26-29(23)25(31)13-12-24(30)27-14-16-28(17-15-27)35(2,32)33/h3-11,23H,12-18H2,1-2H3/t23-/m1/s1