[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate

Systemtic Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate Openeye Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 2-[5-(1-piperidylsulfonyl)-2-thienyl]acetate CAS Name: 2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]acetic acid [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate Traditional Name: 2-(5-piperidinosulfonyl-2-thienyl)acetic acid [2-keto-2-[5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethyl] ester Formula: C29H31N3O6S2 MolecularWeight: 581.70294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)CC3=CC=C(S3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)CC3=CC=C(S3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3O6S2/c1-37-23-12-10-22(11-13-23)26-19-25(21-8-4-2-5-9-21)30-32(26)27(33)20-38-28(34)18-24-14-15-29(39-24)40(35,36)31-16-6-3-7-17-31/h2,4-5,8-15,26H,3,6-7,16-20H2,1H3