2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid 2-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid 2-[4-(4-fluorophenyl)sulfonylpiperazino]ethyl ester Formula: C25H25FN4O4S2 MolecularWeight: 528.618803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCCN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCCN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C25H25FN4O4S2/c1-18-22-17-23(35-24(22)30(27-18)20-5-3-2-4-6-20)25(31)34-16-15-28-11-13-29(14-12-28)36(32,33)21-9-7-19(26)8-10-21/h2-10,17H,11-16H2,1H3