ethyl 5-methyl-1-[4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonylphenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonylphenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[oxo-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[4-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H24N4O5S2 MolecularWeight: 488.57976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)C

InChI

InChI=1S/C22H24N4O5S2/c1-3-31-22(28)19-15-23-26(16(19)2)18-8-6-17(7-9-18)21(27)24-10-12-25(13-11-24)33(29,30)20-5-4-14-32-20/h4-9,14-15H,3,10-13H2,1-2H3