2-[4-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-keto-2-[5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethyl]piperazino]sulfonylbenzonitrile Formula: C29H29N5O4S MolecularWeight: 543.63666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)C5=CC=CC=C5

InChI

InChI=1S/C29H29N5O4S/c1-38-25-13-11-23(12-14-25)27-19-26(22-7-3-2-4-8-22)31-34(27)29(35)21-32-15-17-33(18-16-32)39(36,37)28-10-6-5-9-24(28)20-30/h2-14,27H,15-19,21H2,1H3