[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone

Systemtic Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone Openeye Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone CAS Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-(1-phenyl-4-pyrazolyl)methanone IUPAC Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone Traditional Name: (1-phenylpyrazol-4-yl)-(4-piazthiol-4-ylsulfonylpiperazino)methanone Formula: C20H18N6O3S2 MolecularWeight: 454.52532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CCN1C(=O)C2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C20H18N6O3S2/c27-20(15-13-21-26(14-15)16-5-2-1-3-6-16)24-9-11-25(12-10-24)31(28,29)18-8-4-7-17-19(18)23-30-22-17/h1-8,13-14H,9-12H2