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

Systemtic Name: [3-phenyl-1-(phenylmethyl)pyrazol-4-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: (1-benzyl-3-phenyl-pyrazol-4-yl)-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone CAS Name: [3-phenyl-1-(phenylmethyl)-4-pyrazolyl]-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methanone IUPAC Name: (1-benzyl-3-phenylpyrazol-4-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: (1-benzyl-3-phenyl-pyrazol-4-yl)-[4-(2-thienylsulfonyl)piperazino]methanone Formula: C25H24N4O3S2 MolecularWeight: 492.61306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)S(=O)(=O)C5=CC=CS5

InChI

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