[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: [1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methanone Traditional Name: [1-benzyl-3-(2-thienyl)pyrazol-4-yl]-(4-besylpiperazino)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)CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

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