2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: 2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: 2-[4-(2-thienylsulfonyl)piperazin-1-ium-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-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethyl ester IUPAC Name: 2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-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-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethyl ester Formula: C23H25N4O4S3+ MolecularWeight: 517.664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C23H24N4O4S3/c1-17-19-16-20(33-22(19)27(24-17)18-6-3-2-4-7-18)23(28)31-14-13-25-9-11-26(12-10-25)34(29,30)21-8-5-15-32-21/h2-8,15-16H,9-14H2,1H3/p+1