1-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione

Systemtic Name: 1-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione Openeye Name: 1-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione CAS Name: 1-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione IUPAC Name: 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione Traditional Name: 1-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]-4-(3-phenyl-2-pyrazolin-1-yl)butane-1,4-dione Formula: C21H23ClN4O4S2 MolecularWeight: 495.01472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C21H23ClN4O4S2/c22-18-6-9-21(31-18)32(29,30)25-14-12-24(13-15-25)19(27)7-8-20(28)26-11-10-17(23-26)16-4-2-1-3-5-16/h1-6,9H,7-8,10-15H2