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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)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)22-18-29(21-10-5-2-6-11-21)26-24(22)23-12-7-17-33-23/h1-12,17-18H,13-16,19H2