[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-oxo-2-[3-(1-piperidylsulfonyl)anilino]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-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)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-keto-2-(3-piperidinosulfonylanilino)ethyl] ester Formula: C26H26N4O5S2 MolecularWeight: 538.63844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4O5S2/c1-18-22-16-23(36-25(22)30(28-18)20-10-4-2-5-11-20)26(32)35-17-24(31)27-19-9-8-12-21(15-19)37(33,34)29-13-6-3-7-14-29/h2,4-5,8-12,15-16H,3,6-7,13-14,17H2,1H3,(H,27,31)