[4-(phenylmethyl)sulfonylpiperazin-1-yl]-(2-phenyl-5-thiophen-2-yl-pyrazol-3-yl)methanone

Systemtic Name: [4-(phenylmethyl)sulfonylpiperazin-1-yl]-(2-phenyl-5-thiophen-2-yl-pyrazol-3-yl)methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-[2-phenyl-5-(2-thienyl)pyrazol-3-yl]methanone CAS Name: [4-(phenylmethyl)sulfonyl-1-piperazinyl]-(2-phenyl-5-thiophen-2-yl-3-pyrazolyl)methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(2-phenyl-5-thiophen-2-ylpyrazol-3-yl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-[2-phenyl-5-(2-thienyl)pyrazol-3-yl]methanone Formula: C25H24N4O3S2 MolecularWeight: 492.61306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H24N4O3S2/c30-25(27-13-15-28(16-14-27)34(31,32)19-20-8-3-1-4-9-20)23-18-22(24-12-7-17-33-24)26-29(23)21-10-5-2-6-11-21/h1-12,17-18H,13-16,19H2