[2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-oxidanylidene-butanoate Openeye Name: [2-[5-(2-naphthyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 4-[4-(2-naphthylsulfonyl)piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-4-oxobutanoic acid [2-[5-(2-naphthalenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(2-naphthylsulfonyl)piperazino]butyric acid [2-keto-2-[3-(2-naphthyl)-5-phenyl-2-pyrazolin-1-yl]ethyl] ester Formula: C39H36N4O6S MolecularWeight: 688.79134

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)OCC(=O)N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5)S(=O)(=O)C6=CC7=CC=CC=C7C=C6

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)OCC(=O)N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5)S(=O)(=O)C6=CC7=CC=CC=C7C=C6

InChI

InChI=1S/C39H36N4O6S/c44-37(41-20-22-42(23-21-41)50(47,48)34-17-16-29-9-5-7-13-32(29)25-34)18-19-39(46)49-27-38(45)43-36(30-10-2-1-3-11-30)26-35(40-43)33-15-14-28-8-4-6-12-31(28)24-33/h1-17,24-25,36H,18-23,26-27H2