[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl] thiophene-2-sulfonate

Systemtic Name: [4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl] thiophene-2-sulfonate Openeye Name: [4-[2-(2,4-dichlorophenyl)-4-methyl-5-(1-piperidylcarbamoyl)pyrazol-3-yl]phenyl] thiophene-2-sulfonate CAS Name: 2-thiophenesulfonic acid [4-[2-(2,4-dichlorophenyl)-4-methyl-5-[oxo-(1-piperidinylamino)methyl]-3-pyrazolyl]phenyl] ester IUPAC Name: [4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl] thiophene-2-sulfonate Traditional Name: thiophene-2-sulfonic acid [4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidinocarbamoyl)pyrazol-3-yl]phenyl] ester Formula: C26H24Cl2N4O4S2 MolecularWeight: 591.52916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)OS(=O)(=O)C5=CC=CS5

Isomeric SMILES

CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)OS(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C26H24Cl2N4O4S2/c1-17-24(26(33)30-31-13-3-2-4-14-31)29-32(22-12-9-19(27)16-21(22)28)25(17)18-7-10-20(11-8-18)36-38(34,35)23-6-5-15-37-23/h5-12,15-16H,2-4,13-14H2,1H3,(H,30,33)